adduct,ClassyFire#all classifications,ClassyFire#class,ClassyFire#class Probability,ClassyFire#level 5,ClassyFire#level 5 Probability,ClassyFire#most specific class,ClassyFire#most specific class Probability,ClassyFire#subclass,ClassyFire#subclass Probability,ClassyFire#superclass,ClassyFire#superclass probability,library_compound_name,library_InChI,library_SMILES,molecularFormula,mz,NPC#class,NPC#class Probability,NPC#pathway,NPC#pathway Probability,NPC#superclass,NPC#superclass Probability,precursorFormula,rt_secpnds,shared name
,,,,,,,,,,,,,,,,722.1793,,,,,,,,74.23,5
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Pyrans; Benzopyrans; Alcohols and polyols; Phenols; Chromones; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Primary alcohols; Organooxygen compounds; Flavonoids; Pyranones and derivatives; Flavonoid glycosides; Dialkyl ethers; Flavones; Acetals; Secondary alcohols; Flavonoid C-glycosides; Oxanes; Glycosyl compounds; C-glycosyl compounds; O-glycosyl compounds; Benzene and substituted derivatives; Polyols; Benzenoids; 4'-hydroxyflavonoids; Hydroxyflavonoids; 5-hydroxyflavonoids; 7-hydroxyflavonoids; 1-benzopyrans; Flavonoid 8-C-glycosides; Vinylogous acids; Organic oxides; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Phenolic glycosides; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; 1-hydroxy-4-unsubstituted benzenoids; Chemical entities,Flavonoids,0.876,Flavonoid C-glycosides,0.925,Flavonoid 8-C-glycosides,0.523,Flavonoid glycosides,0.894,Phenylpropanoids and polyketides,0.932,,,,C37H38O19,786.2028,Flavones,0.987,Shikimates and Phenylpropanoids,0.941,Flavonoids,0.964,C37H39O19+,74.23,6
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.943,Amino acids and derivatives,0.8,Amino acids and derivatives,0.8,"Amino acids, peptides, and analogues",0.808,Organic acids and derivatives,0.987,,,,C12H14N4O4,278.1015,Dipeptides,0.351,Amino acids and Peptides,0.927,Small peptides,0.911,C12H15N4O4+,78.33,9
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Lactams; Organic acids and derivatives; Organonitrogen compounds; Pyrimidones; Organooxygen compounds; Quinazolines; Diazines; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Diazanaphthalenes; Benzodiazines; Chemical entities,Diazanaphthalenes,0.981,Quinazolines,0.989,Quinazolines,0.989,Benzodiazines,0.985,Organoheterocyclic compounds,0.987,,,,C11H10N2O,186.0797,Quinazoline alkaloids,0.998,Alkaloids,0.997,Anthranilic acid alkaloids,0.994,C11H11N2O+,81.88,10
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amidines; Alcohols and polyols; Pyrrolidines; Organonitrogen compounds; Organooxygen compounds; Quinazolines; Carboxamidines; Secondary alcohols; Benzenoids; Amines; N-alkylpyrrolidines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Imidolactams; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Diazanaphthalenes; Benzodiazines; Chemical entities",Diazanaphthalenes,0.798,Quinazolines,0.861,Quinazolines,0.861,Benzodiazines,0.808,Organoheterocyclic compounds,0.998,Vasicine,"InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1",O[C@H]1CCN2Cc3ccccc3N=C12,C11H12N2O,188.0953,Quinazoline alkaloids,0.997,Alkaloids,0.998,Anthranilic acid alkaloids,0.981,C11H13N2O+,83.52,11
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Benzoic acids and derivatives; Benzamides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Amino acids and derivatives; Diazines; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.795,Amino acids and derivatives,0.629,Amino acids,0.516,"Amino acids, peptides, and analogues",0.632,Organic acids and derivatives,0.939,,,,C16H18N6O5,374.1338,Purine alkaloids,0.273,Amino acids and Peptides,0.714,Small peptides,0.77,C16H19N6O5+,236.65,30
[M + H]+,Organic compounds; Organosulfur compounds; Alcohols and polyols; Organic acids and derivatives; Primary alcohols; Organooxygen compounds; Organic sulfuric acids and derivatives; Sulfonyls; Secondary alcohols; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organic sulfuric acids and derivatives,0.666,,,Organic sulfuric acids and derivatives,0.666,,,Organic acids and derivatives,0.782,,,,C9H21NO8S2,335.0714,Fatty alcohols,0.142,Amino acids and Peptides,0.58,Amino acid glycosides,0.523,C9H22NO8S2+,254.06,32
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Pteridines and derivatives; Pterins and derivatives; Alcohols and polyols; Purines and purine derivatives; Hypoxanthines; Organic acids and derivatives; Organonitrogen compounds; Pyrimidones; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Imidazopyrimidines; Amines; Primary amines; Vinylogous amides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Pteridines and derivatives,0.636,,,Pterins and derivatives,0.58,Pterins and derivatives,0.58,Organoheterocyclic compounds,0.996,,,,C11H11N7O5,321.0834,Purine nucleosides,0.845,Carbohydrates,0.961,Nucleosides,0.955,C11H12N7O5+,254.57,33
[M + H]+,Organic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Guanidines; Organophosphorus compounds; Organic phosphonic acids and derivatives; Organic phosphonic acids; Carboximidamides; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organic phosphonic acids and derivatives,0.933,,,Organic phosphonic acids,0.837,Organic phosphonic acids,0.837,Organic acids and derivatives,0.982,,,,C13H26N3O3P,303.1695,Aminoacids,0.105,Amino acids and Peptides,0.701,Small peptides,0.632,C13H27N3O3P+,277.58,34
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Amines; Tertiary amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.566,,,Heteroaromatic compounds,0.566,,,Organoheterocyclic compounds,0.824,,,,C10H15N3,177.127,Pyridine alkaloids,0.597,Alkaloids,0.937,Nicotinic acid alkaloids,0.593,C10H16N3+,303.85,38
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Diazines; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.569,,,Diazines,0.569,,,Organoheterocyclic compounds,0.986,,,,C16H18N6O3,342.1439,Purine alkaloids,0.591,Alkaloids,0.578,Pseudoalkaloids (transamidation),0.282,C16H19N6O3+,315.36,40
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Pyrimidines and pyrimidine derivatives; Thiazoles; Lactams; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Thioethers; Diazines; Aminothiazoles; Amines; Primary amines; Organic oxides; 2-amino-1,3-thiazoles; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Azoles,0.597,Aminothiazoles,0.639,"2-amino-1,3-thiazoles",0.668,Thiazoles,0.548,Organoheterocyclic compounds,0.99,,,,C11H12N6O5S,340.0596,Cyclamides,0.474,Amino acids and Peptides,0.616,Nucleosides,0.285,C11H13N6O5S+,339.85,49
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Organic acids and derivatives; Organosulfonic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Sulfonylureas; Organic nitro compounds; Sulfonyls; Organic oxoazanium compounds; Organic 1,3-dipolar compounds; Allyl-type 1,3-dipolar organic compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; C-nitro compounds; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organic sulfonic acids and derivatives; Organopnictogen compounds; Organic oxygen compounds; Nitroaromatic compounds; Organic nitrogen compounds; Chemical entities","Allyl-type 1,3-dipolar organic compounds",0.719,C-nitro compounds,0.699,Nitroaromatic compounds,0.658,Organic nitro compounds,0.718,"Organic 1,3-dipolar compounds",0.738,,,,C11H11N5O8S,373.0332,Purine alkaloids,0.374,Amino acids and Peptides,0.325,Nucleosides,0.317,C11H12N5O8S+,358.17,51
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Monosaccharides; Secondary alcohols; Oxanes; Glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.998,Glycosyl compounds,0.663,Glycosyl compounds,0.663,Carbohydrates and carbohydrate conjugates,0.831,Organic oxygen compounds,1,,,,C15H24N2O10,392.1447,Mycosporine and Mycosporine-like amino acids,0.651,Carbohydrates,0.807,Mycosporine derivatives,0.644,C15H25N2O10+,359.58,52
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.73,,,Benzene and substituted derivatives,0.73,,,Benzenoids,0.974,,,,C21H16N6O4,416.1223,Pyrroloquinoline alkaloids,0.559,Alkaloids,0.819,Tryptophan alkaloids,0.503,C21H17N6O4+,365.61,55
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.517,Dialkylarylamines,0.509,Amines,0.891,Organic nitrogen compounds,1,,,,C17H25N6O2,345.2046,Purine alkaloids,0.45,Alkaloids,0.775,Pseudoalkaloids (transamidation),0.228,C17H26N6O2+,403.52,66
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Tetrazoles; Alkyl aryl ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Thioethers; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Sulfenyl compounds; Alkylarylthioethers; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Aryl thioethers; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Thioethers,0.901,Alkylarylthioethers,0.924,Alkylarylthioethers,0.924,Aryl thioethers,0.91,Organosulfur compounds,0.978,,,,C11H14N6O4S,326.0809,Cyclamides,0.04,Alkaloids,0.166,Nucleosides,0.056,C11H15N6O4S+,404.85,67
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Pyrimidines and pyrimidine derivatives; Thiazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Diazines; Secondary alcohols; Carbonyl compounds; Amines; 2,4-disubstituted thiazoles; Sulfenyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Azoles,0.84,"2,4-disubstituted thiazoles",0.538,"2,4-disubstituted thiazoles",0.538,Thiazoles,0.654,Organoheterocyclic compounds,0.995,,,,C20H30N4O8S,486.1788,Cyclamides,0.193,Amino acids and Peptides,0.607,Oligopeptides,0.408,C20H31N4O8S+,405.17,68
[M + H]+,"Organic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenols; Benzoic acids and derivatives; Benzamides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Cinnamic acid amides; Organic oxides; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.902,Phenylalanine and derivatives,0.529,"Amino acids, peptides, and analogues",0.908,Organic acids and derivatives,0.998,Spectral Match to Glycerol 1-myristate from NIST14,"InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3",CCCCCCCCCCCCCC(=O)OCC(CO)O,C33H34N6O7,626.251,Cyclic peptides,0.135,Amino acids and Peptides,0.778,Oligopeptides,0.362,C33H35N6O7+,405.28,70
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organophosphorus compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Diazines; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Benzene and substituted derivatives,0.813,,,Phenoxy compounds,0.778,Phenoxy compounds,0.778,Benzenoids,0.852,,,,C16H23N2O7PS,418.0974,Menthane monoterpenoids,0.037,Alkaloids,0.212,Nucleosides,0.231,C16H24N2O7PS+,405.39,72
[M + H]+,Organic compounds; Organosulfur compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic sulfuric acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Dialkylamines; Amines; Secondary amines; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Carboxylic acids and derivatives,0.684,Amino acids and derivatives,0.487,Amino acids,0.503,"Amino acids, peptides, and analogues",0.487,Organic acids and derivatives,0.983,,,,C12H24N2O11S,404.1089,Aminosugars,0.173,Carbohydrates,0.543,Aminosugars and aminoglycosides,0.594,C12H25N2O11S+,405.5,73
[M + H]+,Organic compounds; Organoheterocyclic compounds; Naphthalenes; Alkyl aryl ethers; Alcohols and polyols; Phenols; Anisoles; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Phenol ethers; Naphthols and derivatives; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Naphthalenes,0.711,,,Naphthols and derivatives,0.539,Naphthols and derivatives,0.539,Benzenoids,0.979,,,,C36H36O10,628.2308,Bisnaphthalenes,0.657,Polyketides,0.904,Naphthalenes,0.667,C36H37O10+,405.5,74
[M + H]+,Organic compounds; Organoheterocyclic compounds; Ketones; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.74,,,Benzenoids,0.74,,,,C17H21NO4,303.1467,Piperidine alkaloids,0.157,Alkaloids,0.851,Tyrosine alkaloids,0.245,C17H22NO4+,433.81,84
[M + H]+,"Organic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Sulfenyl compounds; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.864,Amino acids and derivatives,0.578,Alpha amino acids and derivatives,0.533,"Amino acids, peptides, and analogues",0.58,Organic acids and derivatives,0.989,,,,C11H15NO6S2,321.035,Aminoacids,0.472,Amino acids and Peptides,0.951,Small peptides,0.585,C11H16NO6S2+,434.13,85
[M + H]+,"Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Sulfoxides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Sulfinyl compounds; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Methionine and derivatives; Hydrocarbon derivatives; Phenylalanine and derivatives; Leucine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.992,Oligopeptides,0.908,"Amino acids, peptides, and analogues",0.998,Organic acids and derivatives,0.999,,,,C25H38N4O6S,522.2508,Tripeptides,0.761,Amino acids and Peptides,0.999,Oligopeptides,0.928,C25H39N4O6S+,442.59,91
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Phenols; Purines and purine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Nucleosides, nucleotides, and analogues; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acids; Monosaccharides; Secondary alcohols; Imidazopyrimidines; Carbonyl compounds; Glycosyl compounds; Glycosylamines; Benzene and substituted derivatives; Polyols; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.775,Amino acids and derivatives,0.555,Alpha amino acids and derivatives,0.548,"Amino acids, peptides, and analogues",0.56,Organic acids and derivatives,0.926,,,,C14H18N4O10,402.1024,Purine nucleosides,0.387,Carbohydrates,0.677,Nucleosides,0.744,C14H19N4O10+,459.03,96
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Organic nitro compounds; Organic oxoazanium compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; C-nitro compounds; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Nitroaromatic compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.666,Amino acids and derivatives,0.509,Amino acids and derivatives,0.509,"Amino acids, peptides, and analogues",0.511,Organic acids and derivatives,0.784,,,,C15H19N4O3,303.147,Dipeptides,0.156,Alkaloids,0.58,Small peptides,0.625,C15H20N4O3+,473.3,101
[M + H]+,Organic compounds; Organoheterocyclic compounds; Benzopyrans; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; 1-benzopyrans; Organic oxides; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzopyrans,0.535,,,1-benzopyrans,0.552,1-benzopyrans,0.552,Organoheterocyclic compounds,0.881,,,,C24H24N2O6,436.1638,Simple coumarins,0.275,Shikimates and Phenylpropanoids,0.437,Coumarins,0.189,C24H25N2O6+,482.6,109
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Secondary alcohols; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.552,,,Benzene and substituted derivatives,0.552,,,Benzenoids,0.866,,,,C26H33N11O2,531.2825,Pyrrole alkaloids,0.036,Alkaloids,0.782,Pseudoalkaloids (transamidation),0.248,C26H34N11O2+,485.54,110
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Phenanthrenes and derivatives; Tetralins; Alcohols and polyols; Organooxygen compounds; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.415,,,Hydroxysteroids,0.532,Hydroxysteroids,0.532,Lipids and lipid-like molecules,0.8,,,,C19H28O3,304.2036,Podocarpane diterpenoids,0.312,Terpenoids,0.966,Diterpenoids,0.744,C19H29O3+,489.08,115
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Amino acids and derivatives; Peptides; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.524,Peptides,0.524,"Amino acids, peptides, and analogues",0.992,Organic acids and derivatives,1,,,,C28H49N3O9,571.3459,Microcolins and mirabimids,0.243,Amino acids and Peptides,0.895,Oligopeptides,0.843,C28H50N3O9+,489.7,117
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Sulfonyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sulfonyls,0.583,,,Sulfonyls,0.583,,,Organosulfur compounds,0.818,,,,C10H16N5O7S,350.0793,Imidazole alkaloids,0.077,Alkaloids,0.865,Guanidine alkaloids,0.184,C10H17N5O7S+,528.47,126
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Organophosphorus compounds; Organic phosphonic acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Aminopyrimidines and derivatives; Diazines; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Imidolactams; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.865,Amino acids and derivatives,0.706,Amino acids and derivatives,0.706,"Amino acids, peptides, and analogues",0.721,Organic acids and derivatives,0.971,,,,C22H39N4O8P,518.2489,Tripeptides,0.059,Amino acids and Peptides,0.677,Oligopeptides,0.193,C22H40N4O8P+,529.54,128
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Glycinated bile acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; Polyols; 3-hydroxysteroids; 7-hydroxysteroids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Steroids and steroid derivatives,0.984,Glycinated bile acids and derivatives,0.617,Glycinated bile acids and derivatives,0.617,"Bile acids, alcohols and derivatives",0.978,Lipids and lipid-like molecules,0.975,,,,C28H43NO7,505.303,Cholane steroids,0.845,Terpenoids,0.827,Steroids,0.873,C28H44NO7+,535.47,129
,,,,,,,,,,,,,,,,360.1911,,,,,,,,543.05,131
,,,,,,,,,,,,,,,,481.1265,,,,,,,,551.41,140
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Organonitrogen compounds; Organooxygen compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.536,,,Benzenoids,0.536,,,,C19H28N2O2,316.215,Terpenoid alkaloids,0.146,Alkaloids,0.894,Tryptophan alkaloids,0.558,C19H29N2O2+,558.38,144
[M + H]+,Organic compounds; Organoheterocyclic compounds; Tetrazoles; Alkyl aryl ethers; Anisoles; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Aryl alkyl ketones; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Phenol ethers,0.635,,,Anisoles,0.598,Anisoles,0.598,Benzenoids,0.994,,,,C21H20N4O5,408.1418,Simple coumarins,0.218,Alkaloids,0.484,Coumarins,0.207,C21H21N4O5+,563.33,146
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Carboxylic acids and derivatives,0.716,,,Carboxylic acid derivatives,0.6,Carboxylic acid derivatives,0.6,Organic acids and derivatives,0.785,,,,C19H26N2O2,314.1985,Terpenoid alkaloids,0.041,Alkaloids,0.814,Pseudoalkaloids (transamidation),0.181,C19H27N2O2+,568.71,149
,,,,,,,,,,,,,,,,466.3275,,,,,,,,583.34,154
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Primary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.833,Alpha amino acids and derivatives,0.8,"Amino acids, peptides, and analogues",0.836,Organic acids and derivatives,0.998,,,,C24H32N2O10,508.2066,Tetracyclines,0.086,Amino acids and Peptides,0.806,Small peptides,0.125,C24H33N2O10+,586.05,155
,,,,,,,,,,,,,,,,738.3461,,,,,,,,589.3,156
[M + H]+,"Organic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Organophosphorus compounds; Organic phosphonic acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.943,Alpha amino acids and derivatives,0.959,"Amino acids, peptides, and analogues",0.943,Organic acids and derivatives,1,,,,C11H19NO4P,260.1049,Aminoacids,0.373,Amino acids and Peptides,0.426,Small peptides,0.578,C11H20NO4P+,591.03,157
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Diazines; Amines; Primary amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.61,,,Pyrimidines and pyrimidine derivatives,0.524,Pyrimidines and pyrimidine derivatives,0.524,Organoheterocyclic compounds,0.983,,,,C18H33N15O3,507.2875,Purine alkaloids,0.296,Amino acids and Peptides,0.732,Oligopeptides,0.475,C18H34N15O3+,600.95,159
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lactones; Oxazoles; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.326,,,Oxazoles,0.581,Oxazoles,0.581,Organoheterocyclic compounds,0.965,,,,C37H50N2O10,682.3456,Polyene macrolides,0.672,Polyketides,0.76,Macrolides,0.948,C37H51N2O10+,603.96,161
,,,,,,,,,,,,,,,,291.146,,,,,,,,613.21,165
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Peptides,0.715,Peptides,0.715,"Amino acids, peptides, and analogues",0.922,Organic acids and derivatives,0.995,,,,C39H64N12O9,844.4922,Lipopeptides,0.398,Amino acids and Peptides,0.931,Oligopeptides,0.988,C39H65N12O9+,614.72,166
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.814,Peptides,0.814,"Amino acids, peptides, and analogues",0.99,Organic acids and derivatives,0.999,,,,C31H48N6O6,600.361,Cyclic peptides,0.543,Amino acids and Peptides,0.998,Oligopeptides,0.992,C31H49N6O6+,617.36,167
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.57,,,Lipids and lipid-like molecules,0.57,,,,C26H39NO5,445.283,Cytochalasan alkaloids,0.546,Alkaloids,0.805,Pseudoalkaloids (transamidation),0.838,C26H40NO5+,629.59,175
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Amines; Primary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.651,Amino acids and derivatives,0.644,Alpha amino acids and derivatives,0.618,"Amino acids, peptides, and analogues",0.659,Organic acids and derivatives,0.852,,,,C16H24N6O3,348.1912,Tripeptides,0.279,Amino acids and Peptides,0.79,Small peptides,0.624,C16H25N6O3+,629.7,176
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Glycinated bile acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; N-acyl-alpha amino acids; 3-hydroxysteroids; 7-hydroxysteroids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Steroids and steroid derivatives,0.846,Glycinated bile acids and derivatives,0.631,Glycinated bile acids and derivatives,0.631,"Bile acids, alcohols and derivatives",0.683,Lipids and lipid-like molecules,0.932,,,,C27H41NO7,491.2896,Cholane steroids,0.236,Amino acids and Peptides,0.486,Macrolides,0.557,C27H42NO7+,629.93,177
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.882,Oligopeptides,0.538,"Amino acids, peptides, and analogues",0.986,Organic acids and derivatives,0.999,,,,C32H56N8O11,728.4068,Linear peptides,0.764,Amino acids and Peptides,0.983,Oligopeptides,0.993,C32H57N8O11+,631.88,182
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.639,,,Benzenoids,0.639,,,,C20H25NO4,343.1797,Isoquinoline alkaloids,0.113,Alkaloids,0.947,Pseudoalkaloids (transamidation),0.217,C20H26NO4+,632.34,183
,,,,,,,,,,,,,,,,970.5255,,,,,,,,633.51,185
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.812,Oligopeptides,0.559,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.999,,,,C44H62N6O10,834.4522,Cyclic peptides,0.738,Amino acids and Peptides,0.929,Oligopeptides,0.979,C44H63N6O10+,637.05,191
,,,,,,,,,,,,,,,,962.4697,,,,,,,,639.58,192
,,,,,,,,,,,,,,,,964.4834,,,,,,,,639.6,193
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Lactones; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Thiocarboxylic acids and derivatives; Steroid lactones; Monocarboxylic acids and derivatives; Oxosteroids; Thioesters; Thioethers; Carboxylic acid esters; Gamma butyrolactones; Spironolactones and derivatives; Carbonyl compounds; 3-oxo delta-4-steroids; Delta-4-steroids; 3-oxosteroids; Sulfenyl compounds; Cyclic ketones; Carbothioic S-esters; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.924,Spironolactones and derivatives,0.836,Spironolactones and derivatives,0.836,Steroid lactones,0.754,Lipids and lipid-like molecules,0.923,,,,C21H34O3S,366.2197,Androstane steroids,0.692,Terpenoids,0.847,Steroids,0.819,C21H35O3S+,640.3,195
,,,,,,,,,,,,,,,,996.4597,,,,,,,,640.45,196
,,,,,,,,,,,,,,,,1066.4596,,,,,,,,641.47,198
[M + H]+,Organic compounds; Naphthalenes; Phenanthrenes and derivatives; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,Phenanthrenes and derivatives,0.716,,,Phenanthrenes and derivatives,0.716,,,Benzenoids,0.998,,,,C15H10,190.0785,Anthraquinones and anthrones,0.103,Polyketides,0.25,Naphthalenes,0.066,C15H11+,650.57,204
[M + H]+,Organic compounds; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,,,,,Benzenoids,0.997,,,Benzenoids,0.997,,,,C15H12,192.094,Anthraquinones and anthrones,0.017,Polyketides,0.071,Fatty acyls,0.02,C15H13+,650.89,205
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Trialkylamines; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Fatty Acyls,0.575,,,Fatty Acyls,0.575,,,Lipids and lipid-like molecules,0.754,,,,C28H45NO8,523.3138,Open-chain polyketides,0.374,Alkaloids,0.234,Linear polyketides,0.521,C28H46NO8+,654.16,206
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Triazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; N-acyl-alpha amino acids; Benzenoids; Sulfenyl compounds; Dialkylthioethers; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.968,N-acyl-alpha amino acids,0.95,"Amino acids, peptides, and analogues",0.968,Organic acids and derivatives,1,,,,C18H22N5O4S,404.141,Dipeptides,0.49,Amino acids and Peptides,0.951,Small peptides,0.864,C18H23N5O4S+,660.01,212
[M + H]+,"Organic compounds; Amino acids, peptides, and analogues; Ketones; Alcohols and polyols; Phenols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Primary carboxylic acid amides; Carbonyl compounds; Polyols; Benzenoids; Amines; Primary amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.8,Amino acids and derivatives,0.62,Amino acids and derivatives,0.62,"Amino acids, peptides, and analogues",0.622,Organic acids and derivatives,0.958,,,,C24H30N2O12,538.1806,Tetracyclines,0.65,Amino acids and Peptides,0.538,Polycyclic aromatic polyketides,0.204,C24H31N2O12+,663.33,214
,,,,,,,,,,,,,,,,646.266,,,,,,,,668.89,219
,,,,,,,,,,,,,,,,1254.585,,,,,,,,669.13,220
,,,,,,,,,,,,,,,,1110.5427,,,,,,,,669.59,221
,,,,,,,,,,,,,,,,1258.6142,,,,,,,,670.86,222
,,,,,,,,,,,,,,,,650.2975,,,,,,,,671.75,224
,,,,,,,,,,,,,,,,1114.5734,,,,,,,,672.26,226
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Ketones; Alcohols and polyols; Macrolides and analogues; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Aminoglycosides; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Trialkylamines; Amines; Tertiary amines; Aminosaccharides; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Organooxygen compounds,0.999,Aminosaccharides,0.534,Aminoglycosides,0.596,Carbohydrates and carbohydrate conjugates,0.294,Organic oxygen compounds,0.999,,,,C51H85N3O16,995.5919,Erythromycins,0.764,Polyketides,0.887,Macrolides,0.929,C51H86N3O16+,673.31,227
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.897,Oligopeptides,0.636,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,1,,,,C39H62N8O12,834.4509,Cyclic peptides,0.421,Amino acids and Peptides,0.993,Oligopeptides,0.996,C39H63N8O12+,678.92,229
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.634,,,Lipids and lipid-like molecules,0.634,,,,C20H26O5,346.1759,Eremophilane sesquiterpenoids,0.044,Terpenoids,0.78,Diterpenoids,0.494,C20H27O5+,679.17,230
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.971,Alpha amino acids and derivatives,0.954,"Amino acids, peptides, and analogues",0.977,Organic acids and derivatives,0.995,,,,C43H58N10O6,810.4508,Cyclic peptides,0.581,Amino acids and Peptides,0.964,Oligopeptides,0.981,C43H59N10O6+,679.19,231
,,,,,,,,,,,,,,,,648.2826,,,,,,,,681.01,233
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.671,,,Lipids and lipid-like molecules,0.671,,,,C29H43NO8,533.2997,Open-chain polyketides,0.299,Alkaloids,0.509,Pseudoalkaloids (transamidation),0.817,C29H44NO8+,681.58,235
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.736,Peptides,0.736,"Amino acids, peptides, and analogues",0.982,Organic acids and derivatives,0.999,,,,C18H27N3O9,429.1726,Dipeptides,0.643,Amino acids and Peptides,0.953,Small peptides,0.87,C18H28N3O9+,684.92,237
,,,,,,,,,,,,,,,,1426.7432,,,,,,,,687.73,241
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Pyrrolidines,0.535,,,Pyrrolidines,0.535,,,Organoheterocyclic compounds,0.729,,,,C17H25NO3,291.1833,Pyrrolidine alkaloids,0.641,Alkaloids,0.95,Ornithine alkaloids,0.712,C17H26NO3+,690.21,244
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Diazines; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.523,,,Benzenoids,0.523,,,,C21H30N6O3,414.2363,Purine alkaloids,0.293,Alkaloids,0.504,Pseudoalkaloids (transamidation),0.245,C21H31N6O3+,690.96,245
[M + H]+,Organic compounds; Alkyl aryl ethers; Anisoles; Ethers; Organic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Organic oxides; Methoxybenzenes; Hydrocarbon derivatives; Organic oxygen compounds; Phenoxy compounds; Chemical entities,Phenol ethers,0.845,,,Anisoles,0.823,Anisoles,0.823,Benzenoids,0.861,,,,C12H17O5,241.1098,Cinnamic acids and derivatives,0.216,Polyketides,0.636,Cyclic polyketides,0.315,C12H18O5+,690.96,246
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Phenols; Benzoic acids and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Primary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Polyols; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.676,,,Benzoic acids and derivatives,0.636,Benzoic acids and derivatives,0.636,Benzenoids,0.878,,,,C34H50N2O12,678.3375,Tetracyclines,0.166,Polyketides,0.487,Macrolides,0.373,C34H51N2O12+,692.21,249
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Organic carbonic acids and derivatives; Monoalkylamines; Carboxylic acid amides; Ureas; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.979,Peptides,0.548,Peptides,0.548,"Amino acids, peptides, and analogues",0.956,Organic acids and derivatives,0.997,,,,C22H47N5O6S,509.3272,Linear peptides,0.485,Amino acids and Peptides,0.926,Oligopeptides,0.984,C22H48N5O6S+,697.74,252
,,,,,,,,,,,,,,,,1414.7793,,,,,,,,699.56,255
,,,,,,,,,,,,,,,,946.4771,,,,,,,,703.98,258
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.978,Amino acids and derivatives,0.544,Amino acids and derivatives,0.544,"Amino acids, peptides, and analogues",0.564,Organic acids and derivatives,0.991,,,,C54H77N5O9,939.5714,Open-chain polyketides,0.621,Amino acids and Peptides,0.397,Oligopeptides,0.534,C54H78N5O9+,706.36,259
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.685,Peptides,0.685,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.998,,,,C55H71N9O5,937.5582,Cyclic peptides,0.428,Amino acids and Peptides,0.92,Oligopeptides,0.917,C55H72N9O5+,707.82,260
,,,,,,,,,,,,,,,,475.2979,,,,,,,,716.16,268
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Alkyl phosphates; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.805,Amino acids and derivatives,0.891,Alpha amino acids and derivatives,0.857,"Amino acids, peptides, and analogues",0.908,Organic acids and derivatives,0.991,,,,C40H88N5O16P,925.5926,Lipopeptides,0.96,Amino acids and Peptides,0.541,Oligopeptides,0.991,C40H89N5O16P+,716.39,270
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Sulfonyls; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.872,,,Benzene and substituted derivatives,0.872,,,Benzenoids,0.948,,,,C23H30N4O4S,458.1997,Imidazole alkaloids,0.091,Alkaloids,0.249,Histidine alkaloids,0.09,C23H31N4O4S+,717.83,271
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Asparagine and derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Peptides,0.685,Peptides,0.685,"Amino acids, peptides, and analogues",0.97,Organic acids and derivatives,0.998,,,,C34H42N6O10,694.2945,Linear peptides,0.214,Amino acids and Peptides,0.966,Oligopeptides,0.923,C34H43N6O10+,718.15,272
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Glycerolipids,0.406,,,Monoradylglycerols,0.513,Monoradylglycerols,0.513,Lipids and lipid-like molecules,0.949,,,,C19H30O4,344.1987,Fatty alcohols,0.336,Fatty acids,0.943,Eicosanoids,0.47,C19H30NaO4+,719.95,274
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Cyclic alcohols and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.515,N-acyl amines,0.525,N-acyl amines,0.525,Fatty amides,0.561,Lipids and lipid-like molecules,0.859,,,,C32H44N2O6,552.3198,Open-chain polyketides,0.037,Amino acids and Peptides,0.372,Macrolides,0.377,C32H45N2O6+,720.41,275
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alkyl aryl ethers; Ethers; Organonitrogen compounds; Organooxygen compounds; Dialkyl ethers; Aminopyrimidines and derivatives; Diazines; Benzenoids; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.762,Dialkylarylamines,0.746,Amines,0.921,Organic nitrogen compounds,1,,,,C23H30N6O4,454.2335,Purine alkaloids,0.053,Alkaloids,0.41,Pseudoalkaloids (transamidation),0.111,C23H31N6O4+,723.29,278
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.567,Peptides,0.567,"Amino acids, peptides, and analogues",0.987,Organic acids and derivatives,0.998,,,,C24H42N6O4,478.327,Linear peptides,0.652,Amino acids and Peptides,0.983,Oligopeptides,0.798,C24H43N6O4+,723.97,279
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Triazines; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Aminotriazines; Amines; Tertiary amines; Tertiary alkylarylamines; N-aliphatic s-triazines; Dialkylarylamines; 1,3,5-triazines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; 1,3,5-triazine-2,4-diamines; Chemical entities",Organonitrogen compounds,1,Tertiary amines,0.835,Dialkylarylamines,0.723,Amines,0.973,Organic nitrogen compounds,1,,,,C24H38N6O3,458.3011,Purine alkaloids,0.071,Alkaloids,0.846,Pseudoalkaloids (transamidation),0.543,C24H39N6O3+,724.95,281
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Peptides,0.807,Peptides,0.807,"Amino acids, peptides, and analogues",0.985,Organic acids and derivatives,0.997,,,,C45H70N12O8,906.5435,Cyclic peptides,0.585,Amino acids and Peptides,0.949,Oligopeptides,0.987,C45H71N12O8+,726.17,282
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Alcohols and polyols; Lactams; Indoles and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Dioxopiperazines; Carbonyl compounds; Benzenoids; Indoles; 2,5-dioxopiperazines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.965,Alpha amino acids and derivatives,0.965,"Amino acids, peptides, and analogues",0.971,Organic acids and derivatives,0.994,,,,C52H80N6O6S2,948.5543,Cyclic peptides,0.219,Amino acids and Peptides,0.972,Oligopeptides,0.98,C52H81N6O6S2+,727.04,283
,,,,,,,,,,,,,,,,938.5426,,,,,,,,737.31,296
,,,,,,,,,,,,,,,,1388.8399,,,,,,,,737.42,297
,,,,,,,,,,,,,,,,920.5316,,,,,,,,737.43,298
,,,,,,,,,,,,,,,,1386.8214,,,,,,,,739.6,300
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Biotin and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Organic carbonic acids and derivatives; Monoalkylamines; Carboxylic acid amides; Ureas; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; N-carbamoyl-alpha amino acids and derivatives; Thienoimidazolidines; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Peptides,0.71,Peptides,0.71,"Amino acids, peptides, and analogues",0.978,Organic acids and derivatives,0.999,,,,C26H47N9O8S,645.326,Linear peptides,0.87,Amino acids and Peptides,0.986,Oligopeptides,0.998,C26H48N9O8S+,739.63,301
[M + H]+,Organic compounds; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,,,,,Benzenoids,0.995,,,Benzenoids,0.995,,,,C14H10,178.0776,Anthraquinones and anthrones,0.058,Fatty acids,0.073,Fatty acyls,0.071,C14H11+,739.73,303
,,,,,,,,,,,,,,,,914.4853,,,,,,,,747.99,310
,,,,,,,,,,,,,,,,932.4938,,,,,,,,748.26,311
,,,,,,,,,,,,,,,,1380.7767,,,,,,,,748.37,312
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.932,N-acyl-alpha amino acids and derivatives,0.581,"Amino acids, peptides, and analogues",0.946,Organic acids and derivatives,0.996,,,,C48H68N6O7,840.5143,Linear peptides,0.247,Amino acids and Peptides,0.974,Oligopeptides,0.969,C48H69N6O7+,748.69,313
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.932,Oligopeptides,0.709,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,1,,,,C39H68N8O11,824.5019,Cyclic peptides,0.381,Amino acids and Peptides,0.997,Oligopeptides,0.993,C39H69N8O11+,752.21,316
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Carboximidamides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.712,Peptides,0.712,"Amino acids, peptides, and analogues",0.981,Organic acids and derivatives,0.998,,,,C44H70N6O9,826.5176,Linear peptides,0.59,Amino acids and Peptides,0.978,Oligopeptides,0.994,C44H71N6O9+,752.56,317
[M + H]+,"Organic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.798,Amino acids and derivatives,0.591,Alpha amino acids and derivatives,0.649,"Amino acids, peptides, and analogues",0.597,Organic acids and derivatives,0.932,,,,C5H21N13O5,343.1786,Aminoacids,0.364,Amino acids and Peptides,0.759,Small peptides,0.542,C5H22N13O5+,764.22,319
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Monosaccharides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; 1,2-aminoalcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Aminosaccharides; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Organooxygen compounds,1,Glycosyl compounds,0.631,O-glycosyl compounds,0.611,Carbohydrates and carbohydrate conjugates,0.786,Organic oxygen compounds,1,,,,C34H48N2O14,708.3102,Open-chain polyketides,0.318,Carbohydrates,0.546,Linear polyketides,0.2,C34H49N2O14+,764.31,320
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Ketones; Indoles and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Substituted pyrroles; Benzenoids; Indoles; Vinylogous amides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.822,,,Indoles,0.781,Indoles,0.781,Organoheterocyclic compounds,0.997,,,,C16H19NO,241.1469,Simple indole alkaloids,0.635,Alkaloids,0.957,Tryptophan alkaloids,0.862,C16H20NO+,765.63,321
,,,,,,,,,,,,,,,,461.3136,,,,,,,,768.37,322
,,,,,,,,,,,,,,,,520.3479,,,,,,,,769.08,323
,,,,,,,,,,,,,,,,629.3217,,,,,,,,769.8,324
,,,,,,,,,,,,,,,,898.4899,,,,,,,,779.59,330
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organophosphorus compounds; Organic phosphoric acids and derivatives; Phosphate esters; Organic phosphonic acids and derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.924,,,Benzenoids,0.924,,,,C14H20N4O5P2,386.0904,Simple indole alkaloids,0.039,Alkaloids,0.331,Tryptophan alkaloids,0.253,C14H21N4O5P2+,784.98,332
,,,,,,,,,,,,,,,,918.5139,,,,,,,,787.38,334
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.849,Alpha amino acids and derivatives,0.735,"Amino acids, peptides, and analogues",0.864,Organic acids and derivatives,0.995,,,,C30H39N5O5,549.293,Cyclic peptides,0.094,Amino acids and Peptides,0.868,Oligopeptides,0.809,C30H40N5O5+,790.89,336
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Trialkylamines; Amines; Tertiary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.827,Amino acids and derivatives,0.827,"Amino acids, peptides, and analogues",0.828,Organic acids and derivatives,0.994,,,,C28H45NO8,523.314,Erythromycins,0.138,Amino acids and Peptides,0.303,Ornithine alkaloids,0.31,C28H46NO8+,796.06,337
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alkyl aryl ethers; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carbonyl compounds; Trialkylamines; Phenol ethers; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.575,Amino acids and derivatives,0.554,Amino acids and derivatives,0.554,"Amino acids, peptides, and analogues",0.554,Organic acids and derivatives,0.575,,,,C56H66N6O3,870.5226,Pyrroloindole alkaloids,0.29,Alkaloids,0.975,Tryptophan alkaloids,0.784,C56H67N6O3+,799.02,339
[M + H]+,Organic compounds; Organoheterocyclic compounds; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Benzene and substituted derivatives,0.804,,,Phenoxy compounds,0.508,Phenoxy compounds,0.508,Benzenoids,0.988,,,,C32H30N2O7,554.2046,Simple indole alkaloids,0.055,Alkaloids,0.465,Tryptophan alkaloids,0.069,C32H31N2O7+,807.06,344
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.96,Amino acids and derivatives,0.641,Amino acids and derivatives,0.641,"Amino acids, peptides, and analogues",0.646,Organic acids and derivatives,0.979,,,,C34H47N3O7,609.3439,Cytochalasan alkaloids,0.021,Amino acids and Peptides,0.487,Oligopeptides,0.066,C34H48N3O7+,807.94,346
,,,,,,,,,,,,,,,,930.4808,,,,,,,,813.82,353
[M + H]+,Organic compounds; Benzenoids; Hydrocarbons; Olefins; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,,,,,Benzenoids,0.991,,,Benzenoids,0.991,,,,C14H10,178.0779,Anthraquinones and anthrones,0.027,Shikimates and Phenylpropanoids,0.081,Fatty acyls,0.062,C14H11+,813.93,354
,,,,,,,,,,,,,,,,914.4861,,,,,,,,814.29,357
,,,,,,,,,,,,,,,,1376.7462,,,,,,,,814.29,358
,,,,,,,,,,,,,,,,361.1865,,,,,,,,818.48,363
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.934,Amino acids and derivatives,0.521,Amino acids and derivatives,0.521,"Amino acids, peptides, and analogues",0.521,Organic acids and derivatives,0.947,,,,C56H78N2O7,890.5845,Cytochalasan alkaloids,0.131,Alkaloids,0.289,Pseudoalkaloids (transamidation),0.5,C56H79N2O7+,820.79,364
,,,,,,,,,,,,,,,,431.3031,,,,,,,,821.15,366
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Alkyl aryl ethers; Anisoles; Indoles and derivatives; Ethers; Organonitrogen compounds; Organooxygen compounds; Phenol ethers; Benzenoids; Indoles; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.548,,,Indoles,0.625,Indoles,0.625,Organoheterocyclic compounds,0.98,methyl 1-methyl-9H-beta-carbolin-7-yl ether,"InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3",N=1C=CC=2C=3C=CC(OC)=CC3NC2C1C,C14H13NO,211.0998,Carbazole alkaloids,0.825,Alkaloids,0.996,Tryptophan alkaloids,0.94,C14H14NO+,823.76,368
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.569,,,Benzenoids,0.569,,,,C22H26NO3,352.1936,Open-chain polyketides,0.491,Polyketides,0.322,Linear polyketides,0.423,C22H27NO3+,824.45,369
,,,,,,,,,,,,,,,,1328.7615,,,,,,,,833.55,381
,,,,,,,,,,,,,,,,882.5086,,,,,,,,833.67,382
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Naphthofurans; Tertiary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.872,Valine and derivatives,0.567,"Amino acids, peptides, and analogues",0.871,Organic acids and derivatives,1,,,,C31H51NO6,533.3715,Drimane sesquiterpenoids,0.707,Terpenoids,0.767,Sesquiterpenoids,0.516,C31H52NO6+,837.16,384
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,1,Peptides,0.989,Oligopeptides,0.924,"Amino acids, peptides, and analogues",0.999,Organic acids and derivatives,1,,,,C20H30N4O6,422.2171,Tripeptides,0.976,Amino acids and Peptides,1,Small peptides,0.998,C20H31N4O6+,840.33,388
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.944,Amino acids and derivatives,0.558,Amino acids and derivatives,0.558,"Amino acids, peptides, and analogues",0.565,Organic acids and derivatives,0.974,,,,C32H65NO11,639.4548,Open-chain polyketides,0.439,Fatty acids,0.658,Macrolides,0.504,C32H66NO11+,840.57,389
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Organooxygen compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.975,,,Benzenoids,0.975,,,,C16H19NO,241.1468,Quinoline alkaloids,0.359,Alkaloids,0.972,Tryptophan alkaloids,0.558,C16H20NO+,840.68,391
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxamic acids; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Acetamides; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.958,Amino acids and derivatives,0.683,Alpha amino acids and derivatives,0.511,"Amino acids, peptides, and analogues",0.708,Organic acids and derivatives,0.988,,,,C30H65N7O10,683.4805,Cyclic peptides,0.434,Amino acids and Peptides,0.635,Oligopeptides,0.881,C30H66N7O10+,841.59,392
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.963,Alpha amino acid esters,0.653,"Amino acids, peptides, and analogues",0.972,Organic acids and derivatives,0.999,,,,C32H69N7O11,727.5064,Lipopeptides,0.737,Amino acids and Peptides,0.895,Oligopeptides,0.985,C32H70N7O11+,842.41,394
,,,,,,,,,,,,,,,,754.4453,,,,,,,,842.99,395
,,,,,,,,,,,,,,,,792.4548,,,,,,,,843.17,396
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.72,Peptides,0.72,"Amino acids, peptides, and analogues",0.975,Organic acids and derivatives,0.999,,,,C35H69N11O8,771.5321,Linear peptides,0.535,Amino acids and Peptides,0.944,Oligopeptides,0.983,C35H70N11O8+,843.46,397
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.812,Cyclic depsipeptides,0.644,Cyclic depsipeptides,0.644,Depsipeptides,0.634,Organic acids and derivatives,0.999,,,,C41H77N5O11,815.5582,Lipopeptides,0.811,Amino acids and Peptides,0.8,Oligopeptides,0.99,C41H78N5O11+,843.94,398
,,,,,,,,,,,,,,,,859.5842,,,,,,,,844.75,400
,,,,,,,,,,,,,,,,930.5495,,,,,,,,845.1,403
,,,,,,,,,,,,,,,,1018.6033,,,,,,,,845.83,404
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organooxygen compounds; Oxosteroids; Carbonyl compounds; Benzenoids; 3-oxosteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.594,3-oxosteroids,0.518,3-oxosteroids,0.518,Oxosteroids,0.567,Lipids and lipid-like molecules,0.937,,,,C23H32O,324.2452,Cyclophytane diterpenoids,0.296,Terpenoids,0.963,Steroids,0.413,C23H33O+,851.62,408
[M + H]+,Organic compounds; Naphthalenes; Phenanthrenes and derivatives; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,Phenanthrenes and derivatives,0.554,,,Phenanthrenes and derivatives,0.554,,,Benzenoids,0.997,,,,C15H12,192.0945,Bisnaphthalenes,0.012,Terpenoids,0.221,Sesquiterpenoids,0.039,C15H13+,851.83,410
,,,,,,,,,,,,,,,,902.5162,,,,,,,,851.85,411
,,,,,,,,,,,,,,,,1022.5271,,,,,,,,852.02,412
,,,,,,,,,,,,,,,,1334.8076,,,,,,,,852.02,413
,,,,,,,,,,,,,,,,177.0706,,,,,,,,882.86,430
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.535,Peptides,0.535,"Amino acids, peptides, and analogues",0.97,Organic acids and derivatives,1,,,,C42H79N7O13,889.5723,Lipopeptides,0.363,Amino acids and Peptides,0.924,Oligopeptides,0.958,C42H80N7O13+,883.07,432
,,,,,,,,,,,,,,,,955.5971,,,,,,,,890.06,441
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Thiazoles; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.87,Alpha amino acids and derivatives,0.767,"Amino acids, peptides, and analogues",0.882,Organic acids and derivatives,0.995,,,,C54H56N4O6S,888.3937,Depsipeptides,0.809,Polyketides,0.651,Oligopeptides,0.99,C54H57N4O6S+,902.54,451
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Thiazoles; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.701,Amino acids and derivatives,0.701,"Amino acids, peptides, and analogues",0.714,Organic acids and derivatives,0.984,,,,C51H76N6O6S2,932.5223,Cyclamides,0.216,Amino acids and Peptides,0.834,Oligopeptides,0.972,C51H77N6O6S2+,903.55,453
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.703,Peptides,0.703,"Amino acids, peptides, and analogues",0.985,Organic acids and derivatives,0.999,,,,C39H64N8O9,788.4819,Linear peptides,0.405,Amino acids and Peptides,0.943,Oligopeptides,0.988,C39H65N8O9+,904.48,455
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Substituted pyrroles; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.558,,,Benzenoids,0.558,,,,C34H32N2O6,564.2239,Cytochalasan alkaloids,0.205,Polyketides,0.339,Macrolides,0.287,C34H33N2O6+,909.16,461
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Carbamate esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.771,Carbamate esters,0.585,"Amino acids, peptides, and analogues",0.773,Organic acids and derivatives,0.989,,,,C24H28N6O4,464.2172,Dipeptides,0.137,Amino acids and Peptides,0.635,Small peptides,0.554,C24H29N6O4+,910.83,464
,,,,,,,,,,,,,,,,902.5196,,,,,,,,917.12,470
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Lactams; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.767,,,Indoles,0.604,Indoles,0.604,Organoheterocyclic compounds,0.981,,,,C33H32N2O5,536.2305,Cytochalasan alkaloids,0.3,Alkaloids,0.85,Tryptophan alkaloids,0.731,C33H33N2O5+,917.25,471
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.631,,,Benzene and substituted derivatives,0.631,,,Benzenoids,0.76,,,,C35H43N5O7,645.3138,Depsipeptides,0.077,Amino acids and Peptides,0.485,Oligopeptides,0.538,C35H44N5O7+,921.05,473
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Thiazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Thiazolecarboxylic acids and derivatives; 2,4-disubstituted thiazoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.59,Peptides,0.59,"Amino acids, peptides, and analogues",0.907,Organic acids and derivatives,0.997,,,,C25H38N4O9S,570.2357,Linear peptides,0.329,Amino acids and Peptides,0.79,Oligopeptides,0.983,C25H39N4O9S+,922.43,475
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Monoalkylamines; Carboxylic acids; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Imidazopyrimidines; Carbonyl compounds; Glycosylamines; Substituted imidazoles; N-substituted imidazoles; Alpha amino acids; Amines; Primary amines; 6-aminopurines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.653,Amino acids and derivatives,0.674,Alpha amino acids,0.518,"Amino acids, peptides, and analogues",0.683,Organic acids and derivatives,0.891,,,,C15H30N10O9,494.2197,Purine nucleosides,0.681,Carbohydrates,0.767,Nucleosides,0.665,C15H31N10O9+,923.73,477
,,,,,,,,,,,,,,,,1021.5549,,,,,,,,925.86,478
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.662,,,Benzene and substituted derivatives,0.662,,,Benzenoids,0.911,,,,C34H35N5O9,657.2459,Carboline alkaloids,0.076,Alkaloids,0.62,Tryptophan alkaloids,0.171,C34H36N5O9+,935.58,484
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Trialkylamines; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.902,Amino acids and derivatives,0.526,Amino acids and derivatives,0.526,"Amino acids, peptides, and analogues",0.528,Organic acids and derivatives,0.914,,,,C56H72N2O10,932.523,Ansa macrolides,0.341,Polyketides,0.658,Macrolides,0.751,C56H73N2O10+,942.48,487
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.981,N-acyl-alpha amino acids,0.798,"Amino acids, peptides, and analogues",0.983,Organic acids and derivatives,0.999,,,,C35H48N5O6P,665.3332,Depsipeptides,0.062,Amino acids and Peptides,0.74,Oligopeptides,0.351,C35H49N5O6P+,953.8,497
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.643,Cyclic depsipeptides,0.891,Cyclic depsipeptides,0.891,Depsipeptides,0.858,Organic acids and derivatives,1,,,,C34H50N6O10S,734.3336,Depsipeptides,0.838,Amino acids and Peptides,0.646,Oligopeptides,1,C34H51N6O10S+,956.08,498
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; N-acylpyrrolidines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Histidine and derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.954,Oligopeptides,0.536,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.999,,,,C48H70N14O9,986.5361,Cyclic peptides,0.665,Amino acids and Peptides,0.995,Oligopeptides,0.999,C48H71N14O9+,959.35,503
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.927,Amino acids and derivatives,0.598,Amino acids and derivatives,0.598,"Amino acids, peptides, and analogues",0.599,Organic acids and derivatives,0.957,,,,C49H78N2O12,886.555,Ansa macrolides,0.129,Polyketides,0.364,Macrolides,0.857,C49H79N2O12+,965.24,511
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.608,,,Benzene and substituted derivatives,0.608,,,Benzenoids,0.853,,,,C39H49NO4,595.3651,Lupane triterpenoids,0.24,Terpenoids,0.796,Triterpenoids,0.775,C39H50NO4+,965.37,512
,,,,,,,,,,,,,,,,1006.5236,,,,,,,,967.21,514
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Pyrroles; Lactams; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Dioxopiperazines; Carbonyl compounds; Substituted pyrroles; Benzenoids; Indoles; 2,5-dioxopiperazines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Indoles and derivatives,0.926,,,Indoles,0.824,Indoles,0.824,Organoheterocyclic compounds,0.997,,,,C27H28N2O2,412.2148,"Indole diketopiperazine alkaloids (L-Trp, L-Ala)",0.405,Amino acids and Peptides,0.946,Peptide alkaloids,0.966,C27H29N2O2+,981.05,525
,,,,,,,,,,,,,,,,1440.8311,,,,,,,,989.71,536
,,,,,,,,,,,,,,,,1402.8348,,,,,,,,989.83,537
,,,,,,,,,,,,,,,,1418.8147,,,,,,,,989.95,538
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Piperidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Alkaloids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Carbonyl compounds; Trialkylamines; Benzenoids; Amines; Tertiary amines; Aralkylamines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.96,Amino acids and derivatives,0.881,Amino acids and derivatives,0.881,"Amino acids, peptides, and analogues",0.884,Organic acids and derivatives,0.976,,,,C39H54N4O9,722.3901,Aspidosperma type,0.382,Alkaloids,0.883,Tryptophan alkaloids,0.442,C39H55N4O9+,990.3,541
,,,,,,,,,,,,,,,,952.5216,,,,,,,,990.3,542
,,,,,,,,,,,,,,,,516.3779,,,,,,,,993.55,551
,,,,,,,,,,,,,,,,996.5681,,,,,,,,993.92,552
,,,,,,,,,,,,,,,,874.5911,,,,,,,,998.1,559
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.685,Alpha amino acids and derivatives,0.632,"Amino acids, peptides, and analogues",0.693,Organic acids and derivatives,0.998,,,,C27H50N2O5,482.372,N-acyl amines,0.102,Fatty acids,0.954,Fatty amides,0.473,C27H51N2O5+,1007.84,571
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.794,Cyclic depsipeptides,0.708,Cyclic depsipeptides,0.708,Depsipeptides,0.789,Organic acids and derivatives,0.999,,,,C40H71N5O9,765.5216,Lipopeptides,0.954,Amino acids and Peptides,0.888,Oligopeptides,0.998,C40H72N5O9+,1008.95,573
[M + H]+,Organic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Fatty acyl glycosides; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.755,,,Fatty acyl glycosides,0.611,Fatty acyl glycosides,0.611,Lipids and lipid-like molecules,0.888,,,,C37H71NO12,721.4966,Neutral glycosphingolipids,0.23,Fatty acids,0.85,Spingolipids,0.817,C37H72NO12+,1010.56,576
,,,,,,,,,,,,,,,,590.214,,,,,,,,1010.87,577
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Polyols; Amines; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Steroids and steroid derivatives,0.525,,,Steroids and steroid derivatives,0.525,,,Lipids and lipid-like molecules,0.667,,,,C35H67NO11,677.4699,Open-chain polyketides,0.573,Polyketides,0.567,Linear polyketides,0.471,C35H68NO11+,1012.72,578
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Ceramides; Secondary alcohols; Secondary carboxylic acid amides; Long-chain ceramides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sphingolipids,0.993,Long-chain ceramides,0.651,Long-chain ceramides,0.651,Ceramides,0.999,Lipids and lipid-like molecules,0.983,,,,C28H57NO4,471.4284,Ceramides,1,Fatty acids,1,Spingolipids,1,C28H58NO4+,1013.79,579
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.762,,,Fatty Acyls,0.762,,,Lipids and lipid-like molecules,0.813,,,,C33H63NO10,633.4444,Open-chain polyketides,0.417,Polyketides,0.49,Linear polyketides,0.306,C33H64NO10+,1014.5,580
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.955,N-acyl-alpha amino acids and derivatives,0.694,"Amino acids, peptides, and analogues",0.963,Organic acids and derivatives,0.996,,,,C32H55N5O5,589.4185,Linear peptides,0.658,Amino acids and Peptides,0.959,Oligopeptides,0.945,C32H56N5O5+,1016.3,581
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.963,Amino acids and derivatives,0.65,Amino acids and derivatives,0.65,"Amino acids, peptides, and analogues",0.649,Organic acids and derivatives,0.952,,,,C29H55NO8,545.3923,Sphingoid bases,0.341,Fatty acids,0.999,Spingolipids,0.412,C29H56NO8+,1017.75,582
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.819,N-acyl amines,0.786,N-acyl amines,0.786,Fatty amides,0.803,Lipids and lipid-like molecules,0.878,,,,C50H67N3O15,949.4564,Pyrimidine nucleosides,0.317,Carbohydrates,0.451,Oligopeptides,0.449,C50H68N3O15+,1019.84,585
[M + H]+,Organic compounds; Organoheterocyclic compounds; Naphthalenes; Pyrroles; Lactams; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid imides; Carbonyl compounds; Pyrrolocarbazoles; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.749,Pyrrolocarbazoles,0.633,Pyrrolocarbazoles,0.633,Carbazoles,0.403,Organoheterocyclic compounds,0.999,,,,C22H14N2O4,370.0954,Carbazole alkaloids,0.813,Alkaloids,0.939,Tryptophan alkaloids,0.958,C22H15N2O4+,1031.19,589
[M + H]+,Organic compounds; Organoheterocyclic compounds; Ketones; Alkyl aryl ethers; Lactams; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Phenol ethers,0.522,,,Phenol ethers,0.522,,,Benzenoids,0.93,,,,C29H31NO7,505.2115,Isoindole alkaloids,0.164,Alkaloids,0.848,Anthranilic acid alkaloids,0.262,C29H32NO7+,1032.1,590
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Organooxygen compounds,1,Glycosyl compounds,0.791,O-glycosyl compounds,0.741,Carbohydrates and carbohydrate conjugates,0.791,Organic oxygen compounds,0.999,,,,C45H66O14,830.4459,Limonoids,0.081,Polyketides,0.48,Triterpenoids,0.298,C45H67O14+,1033.18,591
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Azetidines; Lactams; Beta lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.971,Amino acids and derivatives,0.914,Alpha amino acids and derivatives,0.884,"Amino acids, peptides, and analogues",0.922,Organic acids and derivatives,0.986,,,,C23H32N4O6S,492.2046,Cyclamides,0.265,Amino acids and Peptides,0.963,Oligopeptides,0.867,C23H33N4O6S+,1036.27,595
,,,,,,,,,,,,,,,,621.3506,,,,,,,,1045.25,599
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Glycosyl compounds,0.772,O-glycosyl compounds,0.841,Carbohydrates and carbohydrate conjugates,0.949,Organic oxygen compounds,1,,,,C29H50O19,702.2925,Flavonols,0.102,Shikimates and Phenylpropanoids,0.52,Flavonoids,0.251,C29H51O19+,1053.97,609
,,,,,,,,,,,,,,,,760.494,,,,,,,,1060.91,619
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organooxygen compounds; Disaccharides; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,0.999,Disaccharides,0.586,Disaccharides,0.586,Carbohydrates and carbohydrate conjugates,0.979,Organic oxygen compounds,1,,,,C18H36O14,476.2095,Secoiridoid monoterpenoids,0.471,Terpenoids,0.579,Monoterpenoids,0.864,C18H37O14+,1070.04,624
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Isoindoles; Alcohols and polyols; Lactams; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Tertiary carboxylic acid amides; Isoindoles and derivatives; Isoindolones; Carbonyl compounds; Benzenoids; Isoindolines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Glutamic acid and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.882,Glutamic acid and derivatives,0.703,"Amino acids, peptides, and analogues",0.881,Organic acids and derivatives,0.995,,,,C26H40N2O10,540.2671,Isoindole alkaloids,0.488,Alkaloids,0.698,Pseudoalkaloids (transamidation),0.743,C26H41N2O10+,1072.19,627
,,,,,,,,,,,,,,,,974.4642,,,,,,,,1079.01,631
,,,,,,,,,,,,,,,,701.5283,,,,,,,,1083,634
,,,,,,,,,,,,,,,,602.3055,,,,,,,,1088.67,642
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.963,Amino acids and derivatives,0.731,Amino acids and derivatives,0.731,"Amino acids, peptides, and analogues",0.74,Organic acids and derivatives,0.987,,,,C51H60N4O11,904.427,Polyene macrolides,0.289,Polyketides,0.726,Macrolides,0.695,C51H61N4O11+,1112.6,657
,,,,,,,,,,,,,,,,960.4841,,,,,,,,1121.13,664
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.804,Oligopeptides,0.521,"Amino acids, peptides, and analogues",0.985,Organic acids and derivatives,0.999,,,,C31H48N6O7,616.3577,Linear peptides,0.357,Amino acids and Peptides,0.993,Oligopeptides,0.991,C31H49N6O7+,1124.09,671
,,,,,,,,,,,,,,,,1050.6662,,,,,,,,1125.33,672
,,,,,,,,,,,,,,,,1044.5968,,,,,,,,1127.82,675
,,,,,,,,,,,,,,,,1006.6405,,,,,,,,1127.89,676
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenols; Phenethylamines; Amphetamines and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.905,Oligopeptides,0.736,"Amino acids, peptides, and analogues",0.987,Organic acids and derivatives,1,,,,C44H62N10O14,954.4408,Linear peptides,0.765,Amino acids and Peptides,0.983,Oligopeptides,0.996,C44H63N10O14+,1132.37,679
,,,,,,,,,,,,,,,,869.6052,,,,,,,,1134.67,682
[M + H]+,Organic compounds; Naphthalenes; Organooxygen compounds; Benzenoids; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Naphthalenes,0.559,,,Naphthalenes,0.559,,,Benzenoids,0.977,,,,C12H12O,172.0892,Naphthoquinones,0.148,Terpenoids,0.377,Sesquiterpenoids,0.26,C12H13O+,1136.13,684
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monoalkylamines; Carboxylic acid derivatives; Secondary alcohols; Fatty acyl glycosides; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Amines; Primary amines; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.721,,,Fatty acyl glycosides,0.505,Fatty acyl glycosides,0.505,Lipids and lipid-like molecules,0.829,,,,C42H83NO14,825.5798,Open-chain polyketides,0.58,Fatty acids,0.73,Macrolides,0.462,C42H84NO14+,1137.42,688
,,,,,,,,,,,,,,,,737.5275,,,,,,,,1141.87,691
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Diazines; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.97,Peptides,0.627,Peptides,0.627,"Amino acids, peptides, and analogues",0.919,Organic acids and derivatives,0.99,,,,C31H46N6O7,614.3407,Tripeptides,0.707,Amino acids and Peptides,0.984,Oligopeptides,0.832,C31H47N6O7+,1142.29,692
[M + H]+,Organic compounds; Organoheterocyclic compounds; Phenols; Anisoles; Benzoic acids and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Cinnamic acid amides; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Cinnamic acids and derivatives,0.488,,,Cinnamic acid amides,0.702,Cinnamic acid amides,0.702,Phenylpropanoids and polyketides,0.493,,,,C53H58N4O13,958.4015,Polyamines,0.148,Alkaloids,0.425,Macrolides,0.099,C53H59N4O13+,1143.55,695
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Amines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.926,Amino acids and derivatives,0.851,N-acyl-alpha amino acids and derivatives,0.518,"Amino acids, peptides, and analogues",0.873,Organic acids and derivatives,0.949,,,,C27H54N10O5,598.4263,Cyclic peptides,0.178,Amino acids and Peptides,0.923,Oligopeptides,0.96,C27H55N10O5+,1144.11,700
,,,,,,,,,,,,,,,,935.5432,,,,,,,,1144.26,704
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid esters; Carotenoids; Xanthophylls; Tetraterpenoids; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.939,Carotenoids,0.548,Xanthophylls,0.62,Tetraterpenoids,0.561,Lipids and lipid-like molecules,0.979,,,,C43H66O2,614.5063,"Carotenoids (C40, β-β)",0.628,Terpenoids,0.999,Carotenoids (C40),0.934,C43H67O2+,1144.31,705
,,,,,,,,,,,,,,,,784.567,,,,,,,,1144.76,708
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.728,Peptides,0.728,"Amino acids, peptides, and analogues",0.986,Organic acids and derivatives,0.999,,,,C45H73N9O12,931.54,Cyclic peptides,0.583,Amino acids and Peptides,0.985,Oligopeptides,0.999,C45H74N9O12+,1145.52,711
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactams; Indoles and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Tertiary carboxylic acid amides; Carbonyl compounds; Benzenoids; Amines; Indoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.844,Amino acids and derivatives,0.67,Amino acids and derivatives,0.67,"Amino acids, peptides, and analogues",0.672,Organic acids and derivatives,0.925,,,,C29H28N8O3,536.2305,Other indole diketopiperazine alkaloids,0.096,Alkaloids,0.776,Peptide alkaloids,0.13,C29H29N8O3+,1147.03,715
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.678,,,Lipids and lipid-like molecules,0.678,,,,C19H24O3,300.172,Androstane steroids,0.092,Terpenoids,0.964,Diterpenoids,0.766,C19H25O3+,1158.53,723
,,,,,,,,,,,,,,,,942.4759,,,,,,,,1158.6,724
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.999,Glycosyl compounds,0.544,O-glycosyl compounds,0.599,Carbohydrates and carbohydrate conjugates,0.628,Organic oxygen compounds,0.999,,,,C37H51NO18,797.3081,Spirotetronate macrolides,0.439,Polyketides,0.458,Macrolides,0.566,C37H52NO18+,1162.43,728
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.974,Amino acids and derivatives,0.948,Alpha amino acids and derivatives,0.88,"Amino acids, peptides, and analogues",0.957,Organic acids and derivatives,0.991,,,,C56H69N9O8,995.5271,Cyclic peptides,0.483,Amino acids and Peptides,0.923,Oligopeptides,0.977,C56H70N9O8+,1165.03,729
,,,,,,,,,,,,,,,,1026.666,,,,,,,,1176.07,747
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Trialkylamines; Polyols; Amines; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.665,N-acyl amines,0.543,N-acyl amines,0.543,Fatty amides,0.54,Lipids and lipid-like molecules,0.839,,,,C38H63NO7,645.4591,Open-chain polyketides,0.539,Alkaloids,0.284,Spingolipids,0.7,C38H64NO7+,1177.64,754
,,,,,,,,,,,,,,,,999.6663,,,,,,,,1178.88,756
,,,,,,,,,,,,,,,,1289.838,,,,,,,,1180.14,764
,,,,,,,,,,,,,,,,1113.7355,,,,,,,,1189.47,788
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Dialkylamines; Benzene and substituted derivatives; N-acyl-alpha amino acids; Alpha amino acids; Pyrrolidine carboxylic acids; Benzenoids; Amines; Secondary amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.608,Dipeptides,0.562,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.999,,,,C23H36N2O7,452.2531,Dipeptides,0.687,Amino acids and Peptides,0.892,Small peptides,0.786,C23H37N2O7+,1190.28,790
,,,,,,,,,,,,,,,,1069.7096,,,,,,,,1191.7,793
,,,,,,,,,,,,,,,,609.3447,,,,,,,,1191.79,794
,,,,,,,,,,,,,,,,470.358,,,,,,,,1191.82,795
,,,,,,,,,,,,,,,,578.4249,,,,,,,,1194.68,801
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.859,Cyclic depsipeptides,0.889,Cyclic depsipeptides,0.889,Depsipeptides,0.884,Organic acids and derivatives,1,,,,C44H93N7O15,959.6742,Lipopeptides,0.995,Amino acids and Peptides,0.935,Oligopeptides,0.999,C44H94N7O15+,1196.14,804
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.583,Amino acids and derivatives,0.583,"Amino acids, peptides, and analogues",0.596,Organic acids and derivatives,0.994,,,,C55H68N4O10,944.4919,Polyene macrolides,0.681,Polyketides,0.958,Macrolides,0.923,C55H69N4O10+,1201.27,815
,,,,,,,,,,,,,,,,784.5663,,,,,,,,1209.04,828
,,,,,,,,,,,,,,,,940.461,,,,,,,,1219.86,842
,,,,,,,,,,,,,,,,1254.7987,,,,,,,,1225.48,852
,,,,,,,,,,,,,,,,1205.8169,,,,,,,,1228.15,860
,,,,,,,,,,,,,,,,1161.7915,,,,,,,,1229.89,861
,,,,,,,,,,,,,,,,1117.7663,,,,,,,,1232.16,868
,,,,,,,,,,,,,,,,1073.7399,,,,,,,,1234.52,874
,,,,,,,,,,,,,,,,875.6521,,,,,,,,1244.09,897
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Phosphoethanolamines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Alkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Sphingolipids,0.844,,,Sphingolipids,0.844,,,Lipids and lipid-like molecules,0.963,,,,C48H86N3O6P,831.6259,Phosphosphingolipids,0.424,Fatty acids,0.991,Spingolipids,0.971,C48H87N3O6P+,1246.07,902
,,,,,,,,,,,,,,,,1655.0066,,,,,,,,1249.41,907
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organohalogen compounds; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Aryl chlorides; Carboxylic acid derivatives; Organochlorides; Secondary alcohols; Benzene and substituted derivatives; Benzenoids; Amines; Aryl halides; Imidolactams; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.873,Amino acids and derivatives,0.615,Amino acids and derivatives,0.615,"Amino acids, peptides, and analogues",0.619,Organic acids and derivatives,0.904,,,,C28H30ClN7O8,627.1863,Purine nucleosides,0.182,Amino acids and Peptides,0.326,Oligopeptides,0.631,C28H31ClN7O8+,1249.77,908
,,,,,,,,,,,,,,,,758.5131,,,,,,,,1254.95,918
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.655,Oligopeptides,0.578,"Amino acids, peptides, and analogues",0.983,Organic acids and derivatives,0.998,,,,C40H73N7O8,779.5529,Lipopeptides,0.796,Amino acids and Peptides,0.978,Oligopeptides,0.999,C40H74N7O8+,1255.19,920
,,,,,,,,,,,,,,,,611.4961,,,,,,,,1256.94,924
,,,,,,,,,,,,,,,,432.3001,,,,,,,,1261.42,932
[M + O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Ceramides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sphingolipids,0.64,,,Ceramides,0.889,Ceramides,0.889,Lipids and lipid-like molecules,0.987,,,,C28H55NO3,469.4127,Ceramides,0.964,Fatty acids,0.999,Spingolipids,0.932,C28H56NO4+,1288.45,970
,,,,,,,,,,,,,,,,952.5498,,,,,,,,1299.88,975
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Phenols; Benzoic acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Nucleosides, nucleotides, and analogues; Pyrimidones; Benzoyl derivatives; Organooxygen compounds; Organic carbonic acids and derivatives; Ureas; Carboxylic acid derivatives; Carboxylic acid esters; Diazines; Pentoses; Monosaccharides; Secondary alcohols; Carbonyl compounds; Glycosyl compounds; Hydropyrimidines; Glycosylamines; Benzene and substituted derivatives; Benzenoids; Vinylogous amides; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities",Organooxygen compounds,0.999,Glycosyl compounds,0.959,Glycosylamines,0.976,Carbohydrates and carbohydrate conjugates,0.957,Organic oxygen compounds,1,,,,C27H35N5O17,701.2048,Pyrimidine nucleosides,0.946,Carbohydrates,0.999,Nucleosides,0.988,C27H36N5O17+,1309.24,981
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Azetidines; Phenols; Lactams; Beta lactams; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Pyrimidones; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Azoles; Monoalkylamines; Carboxylic acid amides; Ureas; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; N-carbamoyl-alpha amino acids and derivatives; Diazines; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Phenylacetamides; N-acyl-alpha amino acids; N-carbamoyl-alpha amino acids; Benzenoids; Amines; Primary amines; Sulfenyl compounds; Dialkylthioethers; Aralkylamines; Fatty Acyls; Organic oxides; Azacyclic compounds; Methionine and derivatives; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.726,Peptides,0.726,"Amino acids, peptides, and analogues",0.997,Organic acids and derivatives,0.999,,,,C29H34N8O11S,702.2057,Linear peptides,0.408,Amino acids and Peptides,0.993,Oligopeptides,0.958,C29H35N8O11S+,1309.41,982
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.61,Alpha amino acids and derivatives,0.501,"Amino acids, peptides, and analogues",0.613,Organic acids and derivatives,0.999,,,,C44H77NO8,747.5631,Aminoacids,0.101,Fatty acids,0.444,Sesquiterpenoids,0.136,C44H78NO8+,1310.3,984
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Piperidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Trialkylamines; Diazinanes; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.973,Amino acids and derivatives,0.923,Alpha amino acids and derivatives,0.788,"Amino acids, peptides, and analogues",0.933,Organic acids and derivatives,0.987,,,,C42H66N6O5,734.5059,Cyclic peptides,0.05,Amino acids and Peptides,0.713,Oligopeptides,0.684,C42H67N6O5+,1327.71,1011
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.934,Oligopeptides,0.608,"Amino acids, peptides, and analogues",0.998,Organic acids and derivatives,1,,,,C37H63N13O7,801.4957,Cyclic peptides,0.625,Amino acids and Peptides,0.994,Oligopeptides,0.997,C37H64N13O7+,1334.82,1026
,,,,,,,,,,,,,,,,815.6315,,,,,,,,1337.34,1029
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Phenol ethers; Benzenoids; Fatty Acyls; Organic oxides; Methoxybenzenes; Hydrocarbon derivatives; Valine and derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.973,Phenylalanine and derivatives,0.732,"Amino acids, peptides, and analogues",0.979,Organic acids and derivatives,1,,,,C41H81N5O8,771.6052,Microginins,0.787,Amino acids and Peptides,0.94,Oligopeptides,0.99,C41H82N5O8+,1338.38,1032
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Valine and derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.819,Peptides,0.819,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,0.998,,,,C35H73N11O5,727.5794,Linear peptides,0.741,Amino acids and Peptides,0.985,Oligopeptides,0.898,C35H74N11O5+,1339.01,1033
,,,,,,,,,,,,,,,,644.4827,,,,,,,,1341.93,1037
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alkyl aryl ethers; Anisoles; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Phenol ethers; Benzenoids; Fatty Acyls; Organic oxides; Methoxybenzenes; Hydrocarbon derivatives; Valine and derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.978,Phenylalanine and derivatives,0.912,"Amino acids, peptides, and analogues",0.983,Organic acids and derivatives,1,,,,C35H69N5O5,639.5286,Microginins,0.946,Amino acids and Peptides,0.978,Oligopeptides,0.975,C35H70N5O5+,1342.07,1038
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.975,Amino acids and derivatives,0.84,Alpha amino acids and derivatives,0.716,"Amino acids, peptides, and analogues",0.861,Organic acids and derivatives,0.988,,,,C51H75N11O7,953.5842,Cyclic peptides,0.09,Amino acids and Peptides,0.783,Oligopeptides,0.959,C51H76N11O7+,1342.58,1039
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.765,Peptides,0.765,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.998,,,,C42H75N7O6,773.5779,Linear peptides,0.473,Amino acids and Peptides,0.994,Oligopeptides,0.986,C42H76N7O6+,1348.1,1047
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.917,Amino acids and derivatives,0.767,Alpha amino acids and derivatives,0.631,"Amino acids, peptides, and analogues",0.769,Organic acids and derivatives,0.947,,,,C35H58N2O10,666.4066,Isoindole alkaloids,0.222,Polyketides,0.527,Macrolides,0.719,C35H59N2O10+,1352.62,1053
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Tertiary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.566,,,Lipids and lipid-like molecules,0.566,,,,C38H61NO7,643.4437,Open-chain polyketides,0.275,Amino acids and Peptides,0.549,Macrolides,0.753,C38H62NO7+,1354.34,1056
,,,,,,,,,,,,,,,,815.5109,,,,,,,,1359.24,1068
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Tetrazoles; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Ureas; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; N-carbamoyl-alpha amino acids and derivatives; Diazines; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Sulfenyl compounds; Alkylarylthioethers; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.944,Amino acids and derivatives,0.902,N-acyl-alpha amino acids and derivatives,0.747,"Amino acids, peptides, and analogues",0.909,Organic acids and derivatives,0.993,,,,C32H33N13O9S,775.223,Cyclamides,0.535,Amino acids and Peptides,0.953,Oligopeptides,0.989,C32H34N13O9S+,1360.65,1070
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Thiazoles; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Thiazolecarboxylic acids and derivatives; Amines; Primary amines; 2,4-disubstituted thiazoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; 2-heteroaryl carboxamides; Chemical entities",Carboxylic acids and derivatives,0.953,Amino acids and derivatives,0.879,Alpha amino acids and derivatives,0.623,"Amino acids, peptides, and analogues",0.888,Organic acids and derivatives,0.989,,,,C33H36N12O7S2,776.2242,Cyclamides,0.947,Amino acids and Peptides,0.996,Oligopeptides,0.993,C33H37N12O7S2+,1360.76,1071
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.656,,,Fatty Acyls,0.656,,,Lipids and lipid-like molecules,0.856,,,,C25H45O3,393.3392,Fatty alcohols,0.081,Fatty acids,0.827,Eicosanoids,0.165,C25H46O3+,1369.06,1075
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Steroids and steroid derivatives,0.712,,,Steroids and steroid derivatives,0.712,,,Lipids and lipid-like molecules,0.95,,,,C31H53NO4,503.3956,Steroidal alkaloids,0.272,Fatty acids,0.828,Spingolipids,0.625,C31H54NO4+,1376.06,1084
,,,,,,,,,,,,,,,,735.5246,,,,,,,,1378.31,1086
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Glycerolipids; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Amino acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters; Monoalkylamines; Carboxylic acid derivatives; Carboxylic acid esters; Phosphoethanolamines; Phosphatidylethanolamines; Carbonyl compounds; Glycerophosphoethanolamines; Amines; Primary amines; Glycerol vinyl ethers; Alkyl phosphates; Dialkyl phosphates; 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Glycerophospholipids,1,Phosphatidylethanolamines,0.841,Phosphatidylethanolamines,0.841,Glycerophosphoethanolamines,0.988,Lipids and lipid-like molecules,0.993,,,,C36H70NO6P,643.4939,Glycerophosphoethanolamines,0.999,Fatty acids,1,Glycerophospholipids,1,C36H71NO6P+,1383.15,1092
[M + H]+,Organic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Ceramides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sphingolipids,0.765,,,Ceramides,0.781,Ceramides,0.781,Lipids and lipid-like molecules,0.98,,,,C39H77N3O11,763.5576,Ceramides,0.322,Fatty acids,0.867,Spingolipids,0.799,C39H78N3O11+,1392.99,1102
,,,,,,,,,,,,,,,,1316.8507,,,,,,,,1401.61,1110
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Azoles; Carboxylic acid derivatives; Thioethers; Carbonyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.586,,,Fatty amides,0.518,Fatty amides,0.518,Lipids and lipid-like molecules,0.678,,,,C44H79N3O4S,745.5764,Imidazole alkaloids,0.363,Amino acids and Peptides,0.323,Linear polyketides,0.516,C44H80N3O4S+,1406.12,1113
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Thiazoles; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; Diazines; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Thiazolecarboxylic acids and derivatives; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; 2,4-disubstituted thiazoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; 2-heteroaryl carboxamides; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.992,N-acyl-alpha amino acids and derivatives,0.961,"Amino acids, peptides, and analogues",0.992,Organic acids and derivatives,0.999,,,,C39H37N11O10S,851.2407,Cyclamides,0.454,Amino acids and Peptides,0.974,Oligopeptides,0.979,C39H38N11O10S+,1410.85,1120
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyridines and derivatives; Thiazoles; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Thiazolecarboxylic acids and derivatives; Aminothiazoles; Amines; Primary amines; 2,4-disubstituted thiazoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; 2-heteroaryl carboxamides; Chemical entities",Carboxylic acids and derivatives,0.964,Amino acids and derivatives,0.959,N-acyl-alpha amino acids and derivatives,0.879,"Amino acids, peptides, and analogues",0.964,Organic acids and derivatives,0.995,,,,C35H38N12O12S,850.2427,Cyclamides,0.584,Amino acids and Peptides,0.981,Oligopeptides,0.996,C35H39N12O12S+,1410.96,1121
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alkyl aryl ethers; Phenols; Anisoles; Benzoic acids and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Organic carbonic acids and derivatives; Ureas; Carboxylic acid derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Diarylethers; Vinylogous amides; Organic oxides; Methoxybenzenes; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Organooxygen compounds,1,Diarylethers,0.517,Diarylethers,0.517,Ethers,0.693,Organic oxygen compounds,1,,,,C43H39N5O14,849.2421,Pyridine alkaloids,0.167,Alkaloids,0.236,Nicotinic acid alkaloids,0.168,C43H40N5O14+,1411.06,1123
,,,,,,,,,,,,,,,,1438.9252,,,,,,,,1415.52,1129
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.907,Amino acids and derivatives,0.682,Amino acids and derivatives,0.682,"Amino acids, peptides, and analogues",0.689,Organic acids and derivatives,0.909,,,,C42H64N6O4,716.4978,Open-chain polyketides,0.033,Alkaloids,0.615,Pseudoalkaloids (transamidation),0.097,C42H65N6O4+,1417.39,1132
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alkyl aryl ethers; Anisoles; Lactams; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Diazines; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Organic oxides; Methoxybenzenes; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Phenol ethers,0.795,,,Anisoles,0.768,Anisoles,0.768,Benzenoids,0.987,,,,C47H36N14O6S,924.2619,Cyclamides,0.057,Alkaloids,0.628,Tryptophan alkaloids,0.069,C47H37N14O6S+,1466.57,1181
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Phenols; Anisoles; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Hydroxycinnamic acids and derivatives; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Acetamides; Organic oxides; Methoxybenzenes; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Cinnamic acids and derivatives,0.448,,,Hydroxycinnamic acids and derivatives,0.539,Hydroxycinnamic acids and derivatives,0.539,Phenylpropanoids and polyketides,0.7,,,,C43H45N3O20,923.2608,Pyrimidine nucleosides,0.207,Carbohydrates,0.735,Aminosugars and aminoglycosides,0.135,C43H46N3O20+,1467.54,1183
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Benzopyrans; Alkyl aryl ethers; Tocopherols; Ethers; Prenol lipids; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acid esters; Quinone and hydroquinone lipids; Vitamin E compounds; Diterpenoids; Benzenoids; 1-benzopyrans; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.954,Vitamin E compounds,0.998,Tocopherols,0.882,Quinone and hydroquinone lipids,0.997,Lipids and lipid-like molecules,0.943,,,,C29H48O2,428.3652,Prenyl quinone meroterpenoids,1,Terpenoids,1,Meroterpenoids,1,C29H49O2+,1474.5,1191
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Benzenoids; Amines; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.94,,,Benzenoids,0.94,,,,C11H14N2O,190.112,Quinazoline alkaloids,0.317,Alkaloids,0.902,Anthranilic acid alkaloids,0.395,C11H13N2+,80.34,1509
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Thiazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Thioethers; Carbonyl compounds; Dialkylthioethers; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.871,,,Thiazoles,0.503,Thiazoles,0.503,Organoheterocyclic compounds,0.982,,,,C21H35N4O3PS2,486.1902,Imidazole alkaloids,0.65,Amino acids and Peptides,0.249,Histidine alkaloids,0.65,C21H36N4O3PS2+,94.44,1520
[M + H]+,Organic compounds; Organosulfur compounds; Organic acids and derivatives; Organonitrogen compounds; Organic sulfuric acids and derivatives; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organic sulfuric acids and derivatives,0.523,,,Organic sulfuric acids and derivatives,0.523,,,Organic acids and derivatives,0.916,,,,CH5N4O5PS,215.9707,Imidazole alkaloids,0.096,Alkaloids,0.66,Histidine alkaloids,0.096,CH6N4O5PS+,95.39,1521
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.838,,,Heteroaromatic compounds,0.838,,,Organoheterocyclic compounds,0.89,,,,C6H11N4O6PS,298.0126,Purine alkaloids,0.147,Alkaloids,0.502,Pseudoalkaloids (transamidation),0.132,C6H12N4O6PS+,123.56,1532
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.801,,,Benzenoids,0.801,N-phenyl-N-[2-(propionylanilino)ethyl]propanamide,"InChI=1S/C20H24N2O2/c1-3-19(23)21(17-11-7-5-8-12-17)15-16-22(20(24)4-2)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3",CCC(=O)N(CCN(C(=O)CC)c1ccccc1)c1ccccc1,C16H15N5O3,325.1175,Purine alkaloids,0.063,Alkaloids,0.853,Pseudoalkaloids (transamidation),0.18,C16H16N5O3+,315.36,1556
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.567,,,Benzene and substituted derivatives,0.567,,,Benzenoids,0.692,,,,C15H19NO7,325.1174,Pyridine alkaloids,0.028,Alkaloids,0.613,Pseudoalkaloids (transamidation),0.089,C15H20NO7+,315.36,1558
,,,,,,,,,,,,,,,,458.0893,,,,,,,,328.54,1559
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Organic acids and derivatives; Organonitrogen compounds; Azoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.557,,,Azoles,0.557,,,Organoheterocyclic compounds,0.93,,,,C8H13N4O3PS4,371.9619,Tantazoles and mirabazoles,0.188,Amino acids and Peptides,0.788,Oligopeptides,0.447,C8H14N4O3PS4+,351.34,1563
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Furans; Pyridines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Pyrimidones; Organooxygen compounds; Carboxylic acid derivatives; Diazines; Organic 1,3-dipolar compounds; Allyl-type 1,3-dipolar organic compounds; Organic oxides; C-nitro compounds; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Nitroaromatic compounds; Organic nitrogen compounds; Chemical entities","Allyl-type 1,3-dipolar organic compounds",0.563,C-nitro compounds,0.503,Nitroaromatic compounds,0.53,Organic nitro compounds,0.493,"Organic 1,3-dipolar compounds",0.523,,,,C16H13N5O5,355.0918,Pyrroloquinoline alkaloids,0.12,Alkaloids,0.501,Nicotinic acid alkaloids,0.112,C16H14N5O5+,353.56,1564
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Nitrobenzenes; Pyrimidines and pyrimidine derivatives; Furans; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Organic nitro compounds; Diazines; Organic oxoazanium compounds; Benzene and substituted derivatives; Benzenoids; Organic zwitterions; Organic 1,3-dipolar compounds; Allyl-type 1,3-dipolar organic compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; C-nitro compounds; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Nitroaromatic compounds; Organic nitrogen compounds; Chemical entities",Benzene and substituted derivatives,0.56,,,Nitrobenzenes,0.527,Nitrobenzenes,0.527,Benzenoids,0.825,,,,C16H13N5O5,355.0918,Purine alkaloids,0.136,Alkaloids,0.461,Small peptides,0.113,C16H14N5O5+,353.78,1565
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Vinylogous amides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.873,Amino acids and derivatives,0.778,Alpha amino acids and derivatives,0.563,"Amino acids, peptides, and analogues",0.779,Organic acids and derivatives,0.972,,,,C12H12N4O4,276.086,Aminoacids,0.177,Alkaloids,0.621,Anthranilic acid alkaloids,0.404,C12H11N4O3+,377.54,1570
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Diazines; Carbonyl compounds; Alpha amino acids; Amines; Primary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.872,Amino acids and derivatives,0.851,Alpha amino acids,0.502,"Amino acids, peptides, and analogues",0.852,Organic acids and derivatives,0.968,,,,C12H12N4O4,276.086,Aminoacids,0.7,Amino acids and Peptides,0.646,Small peptides,0.79,C12H13N4O4+,377.65,1572
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Pyrimidones; Organooxygen compounds; Organic carbonic acids and derivatives; Ureas; Diazines; Vinylogous amides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.772,Pyrimidones,0.637,Pyrimidones,0.637,Pyrimidines and pyrimidine derivatives,0.65,Organoheterocyclic compounds,0.995,,,,C8H6N4O4,222.0391,Purine alkaloids,0.942,Alkaloids,0.994,Pseudoalkaloids (transamidation),0.877,C8H7N4O4+,377.43,1575
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Thiadiazoles; Organic acids and derivatives; Organonitrogen compounds; Azoles; Organothiophosphorus compounds; Organosulfonamides; Sulfenyl compounds; Organic dithiophosphoric acids and derivatives; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.721,,,Thiadiazoles,0.593,Thiadiazoles,0.593,Organoheterocyclic compounds,0.958,,,,C8H13N4O3PS4,371.9619,Tantazoles and mirabazoles,0.169,Amino acids and Peptides,0.616,Oligopeptides,0.296,C8H14N4O3PS4+,393.51,1577
,,,,,,,,,,,,,,,,302.1367,,,,,,,,405.39,1580
[M + H]+,Organic compounds; Organoheterocyclic compounds; Ketones; Alkyl aryl ethers; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Alkyl aryl ethers,0.584,Alkyl aryl ethers,0.584,Ethers,0.738,Organic oxygen compounds,1,,,,C29H28O6,472.1889,Angucyclines,0.15,Shikimates and Phenylpropanoids,0.683,Coumarins,0.26,C29H29O6+,405.17,1584
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Nucleosides, nucleotides, and analogues; Organooxygen compounds; Amino acids and derivatives; Alloxazines and isoalloxazines; Organic phosphoric acids and derivatives; Phosphate esters; Azoles; Quinoxalines; Carboxylic acid derivatives; Carboxylic acid esters; Flavins; Aminopyrimidines and derivatives; Diazines; Pentoses; Purine nucleotides; Monosaccharides; Monosaccharide phosphates; Secondary alcohols; Imidazopyrimidines; Carbonyl compounds; Oxolanes; Glycosyl compounds; Glycosylamines; Pentose phosphates; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; 6-aminopurines; Alkyl phosphates; Imidolactams; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Purine nucleotides,0.848,,,Purine nucleotides,0.848,,,"Nucleosides, nucleotides, and analogues",0.935,,,,C29H35N6O9P,642.2192,Purine nucleotides,0.982,Carbohydrates,0.934,Nucleosides,0.966,C29H36N6O9P+,405.17,1586
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.602,,,Azoles,0.602,,,Organoheterocyclic compounds,0.986,,,,C7H9N4O8PS2,371.9619,Purine alkaloids,0.181,Alkaloids,0.442,Histidine alkaloids,0.164,C7H10N4O8PS2+,416.75,1588
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Tryptamines and derivatives; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Substituted pyrroles; Alpha amino acid amides; Benzenoids; Indoles; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.789,Dipeptides,0.543,"Amino acids, peptides, and analogues",0.998,Organic acids and derivatives,1,,,,C20H29N3O3,359.2208,Dipeptides,0.84,Amino acids and Peptides,0.997,Small peptides,0.972,C20H30N3O3+,430.52,1591
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Substituted pyrroles; Benzenoids; Amines; Indoles; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.972,Amino acids and derivatives,0.788,Alpha amino acids and derivatives,0.558,"Amino acids, peptides, and analogues",0.796,Organic acids and derivatives,0.985,,,,C20H29N3O3,359.2209,Dipeptides,0.145,Amino acids and Peptides,0.762,Tryptophan alkaloids,0.402,C20H30N3O3+,439.1,1595
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organophosphorus compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azacyclic compounds,0.554,,,Azacyclic compounds,0.554,,,Organoheterocyclic compounds,0.665,,,,C10H19N2O3P,246.1117,Primary amides,0.017,Alkaloids,0.436,Pseudoalkaloids (transamidation),0.032,C10H20N2O3P+,463.07,1602
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Alcohols and polyols; Anisoles; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; 1,2-aminoalcohols; Phenol ethers; Benzenoids; Amines; Secondary amines; Alkanolamines; Tetrahydroisoquinolines; Aralkylamines; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Tetrahydroisoquinolines,0.755,,,Tetrahydroisoquinolines,0.755,,,Organoheterocyclic compounds,0.583,,,,C19H28N2O3,332.2097,Isoquinoline alkaloids,0.711,Alkaloids,0.982,Tyrosine alkaloids,0.948,C19H29N2O3+,480.78,1607
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid amides; Amines; Tertiary amines; Tertiary alkylarylamines; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.677,Dialkylarylamines,0.687,Amines,0.947,Organic nitrogen compounds,1,,,,C16H26N6O4,366.202,Tripeptides,0.086,Amino acids and Peptides,0.697,Oligopeptides,0.336,C16H27N6O4+,504.94,1621
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.565,,,Lipids and lipid-like molecules,0.565,,,,C17H28O6,328.1877,Bisabolane sesquiterpenoids,0.47,Terpenoids,0.457,Cyclic polyketides,0.248,C17H28NaO6+,525.85,1627
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.866,Oligopeptides,0.577,"Amino acids, peptides, and analogues",0.969,Organic acids and derivatives,0.998,,,,C24H34N6O6,502.2545,Tripeptides,0.398,Amino acids and Peptides,0.994,Oligopeptides,0.947,C24H35N6O6+,526.79,1628
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.819,,,Benzenoids,0.819,,,,C27H35N5O2,461.2777,Pyrrole alkaloids,0.012,Alkaloids,0.734,Pseudoalkaloids (transamidation),0.158,C27H36N5O2+,528.36,1633
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.643,N-acyl amines,0.652,N-acyl amines,0.652,Fatty amides,0.628,Lipids and lipid-like molecules,0.745,,,,C26H39NO6,461.2776,Open-chain polyketides,0.632,Polyketides,0.503,Linear polyketides,0.591,C26H40NO6+,531.39,1636
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Isoindoles and derivatives; Isoindolones; Carbonyl compounds; Polyols; Isoindolines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Isoindoles and derivatives,0.581,Isoindolones,0.569,Isoindolones,0.569,Isoindolines,0.535,Organoheterocyclic compounds,0.929,,,,C29H41NO8,531.2831,Cytochalasan alkaloids,0.376,Alkaloids,0.338,Pseudoalkaloids (transamidation),0.644,C29H42NO8+,534.58,1641
[M + H]+,Organic compounds; Organoheterocyclic compounds; Isoindoles; Alkyl aryl ethers; Alcohols and polyols; Phenols; Lactams; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Isoindoles and derivatives; Isoindolones; Carbonyl compounds; Polyols; Benzenoids; Isoindolines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Coumarans; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Isoindoles and derivatives,0.972,Isoindolones,0.963,Isoindolones,0.963,Isoindolines,0.967,Organoheterocyclic compounds,0.97,,,,C29H41NO8,531.2829,Cytochalasan alkaloids,0.549,Alkaloids,0.836,Pseudoalkaloids (transamidation),0.921,C29H42NO8+,543.49,1646
[M + H]+,Organic compounds; Organoheterocyclic compounds; Ketones; Alkyl aryl ethers; Anisoles; Ethers; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Phenol ethers; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Phenol ethers,0.934,,,Anisoles,0.939,Anisoles,0.939,Benzenoids,0.971,,,,C17H21NO3,287.1525,Isoquinoline alkaloids,0.246,Alkaloids,0.989,Tyrosine alkaloids,0.693,C17H22NO3+,551.14,1657
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.952,Amino acids and derivatives,0.787,Alpha amino acids and derivatives,0.569,"Amino acids, peptides, and analogues",0.808,Organic acids and derivatives,0.98,,,,C24H36N6O6,504.2697,Tripeptides,0.127,Amino acids and Peptides,0.96,Oligopeptides,0.83,C24H37N6O6+,551.04,1658
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Xanthines; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Imidazopyrimidines; Substituted imidazoles; N-substituted imidazoles; Amines; 6-aminopurines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Imidazopyrimidines,0.89,Xanthines,0.525,Xanthines,0.525,Purines and purine derivatives,0.906,Organoheterocyclic compounds,0.968,,,,C24H36N6O7,520.264,Purine alkaloids,0.664,Alkaloids,0.43,Pseudoalkaloids (transamidation),0.68,C24H37N6O7+,551.26,1661
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.642,,,Fatty Acyls,0.642,,,Lipids and lipid-like molecules,0.702,,,,C26H40O7,464.2771,Open-chain polyketides,0.913,Polyketides,0.986,Linear polyketides,0.937,C26H40NaO7+,553.23,1667
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.889,Amino acids and derivatives,0.823,Alpha amino acids and derivatives,0.747,"Amino acids, peptides, and analogues",0.841,Organic acids and derivatives,0.956,,,,C24H34N6O6,502.2539,Cyclic peptides,0.196,Amino acids and Peptides,0.931,Oligopeptides,0.894,C24H35N6O6+,553.52,1668
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.559,Peptides,0.559,"Amino acids, peptides, and analogues",0.962,Organic acids and derivatives,0.999,,,,C24H36N6O5,488.2743,Dipeptides,0.313,Amino acids and Peptides,0.994,Small peptides,0.747,C24H37N6O5+,553.96,1670
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carbonyl compounds; Cyclic ketones; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Ketones,0.762,Cyclohexenones,0.528,Carbonyl compounds,0.953,Organic oxygen compounds,1,,,,C26H34O5,426.2406,Azaphilones,0.298,Polyketides,0.65,Linear polyketides,0.156,C26H35O5+,554.75,1671
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.796,Amino acids and derivatives,0.72,Amino acids and derivatives,0.72,"Amino acids, peptides, and analogues",0.736,Organic acids and derivatives,0.869,,,,C24H36N6O6,504.2694,Tripeptides,0.183,Amino acids and Peptides,0.906,Oligopeptides,0.718,C24H37N6O6+,558.5,1675
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Unsaturated fatty acids; Hydroxy fatty acids; Eicosanoids; Prostaglandins and related compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.946,Prostaglandins and related compounds,0.575,Prostaglandins and related compounds,0.575,Eicosanoids,0.763,Lipids and lipid-like molecules,0.977,,,,C24H38O5,428.256,Prostaglandins,0.761,Fatty acids,0.992,Eicosanoids,0.885,C24H38NaO5+,558.5,1676
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.786,N-acyl-alpha amino acids,0.621,"Amino acids, peptides, and analogues",0.805,Organic acids and derivatives,0.998,,,,C32H41N5O6,591.3042,Linear peptides,0.154,Amino acids and Peptides,0.91,Oligopeptides,0.743,C32H42N5O6+,557.24,1677
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.975,Amino acids and derivatives,0.873,N-acyl-alpha amino acids and derivatives,0.594,"Amino acids, peptides, and analogues",0.886,Organic acids and derivatives,0.983,,,,C20H32N6O4,420.2505,Tripeptides,0.347,Amino acids and Peptides,0.958,Small peptides,0.785,C20H33N6O4+,561.26,1679
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.688,Peptides,0.688,"Amino acids, peptides, and analogues",0.969,Organic acids and derivatives,0.999,,,,C30H39N5O4,533.2987,Linear peptides,0.395,Amino acids and Peptides,0.984,Oligopeptides,0.915,C30H40N5O4+,559.88,1680
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Carbohydrates and carbohydrate conjugates; Lactones; Ketones; Alcohols and polyols; Phenols; Macrolides and analogues; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy acids and derivatives; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Alpha hydroxy acids and derivatives; Monosaccharides; Secondary alcohols; Carbonyl compounds; Oxanes; Benzene and substituted derivatives; Benzenoids; Sulfenyl compounds; Aryl ketones; Aryl alkyl ketones; Dialkylthioethers; Vinylogous acids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; 1-hydroxy-4-unsubstituted benzenoids; Chemical entities,Macrolides and analogues,0.918,,,Macrolides and analogues,0.918,,,Phenylpropanoids and polyketides,0.63,,,,C17H30O9S,410.1597,Zearalenones,0.999,Polyketides,0.982,Macrolides,0.999,C17H31O9S+,563.41,1685
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Secondary alcohols; 1,2-aminoalcohols; Amines; Alkanolamines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Organonitrogen compounds,0.998,Alkanolamines,0.53,"1,2-aminoalcohols",0.653,Amines,0.639,Organic nitrogen compounds,0.999,,,,C30H50N2O7,550.3613,Open-chain polyketides,0.302,Polyketides,0.481,Macrolides,0.471,C30H51N2O7+,564.57,1686
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.596,,,Prenol lipids,0.596,,,Lipids and lipid-like molecules,0.766,,,,C26H34O5,426.2405,Eremophilane sesquiterpenoids,0.043,Terpenoids,0.756,Triterpenoids,0.13,C26H35O5+,566.19,1689
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Polyols; Benzenoids; Amines; Primary amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.776,Amino acids and derivatives,0.619,Alpha amino acids and derivatives,0.619,"Amino acids, peptides, and analogues",0.628,Organic acids and derivatives,0.856,,,,C25H42N8O12,646.2953,Linear peptides,0.24,Amino acids and Peptides,0.512,Oligopeptides,0.393,C25H43N8O12+,566.2,1690
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Medium-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.648,Amino acids and derivatives,0.648,"Amino acids, peptides, and analogues",0.663,Organic acids and derivatives,0.999,,,,C26H38N3O7,504.2696,Open-chain polyketides,0.361,Amino acids and Peptides,0.812,Oligopeptides,0.426,C26H37N3O6+,571.25,1694
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Organic 1,3-dipolar compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.969,Peptides,0.526,Peptides,0.526,"Amino acids, peptides, and analogues",0.957,Organic acids and derivatives,0.986,,,,C24H36N6O6,504.2698,Linear peptides,0.279,Amino acids and Peptides,0.996,Oligopeptides,0.925,C24H37N6O6+,570.33,1696
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.623,,,Fatty acids and conjugates,0.53,Fatty acids and conjugates,0.53,Lipids and lipid-like molecules,0.675,,,,C21H38N3O4S,428.256,Imidazole alkaloids,0.39,Amino acids and Peptides,0.506,Histidine alkaloids,0.386,C21H39N3O4S+,570.45,1697
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Amines; Primary amines; Imidolactams; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.882,Aminopyrimidines and derivatives,0.873,Aminopyrimidines and derivatives,0.873,Pyrimidines and pyrimidine derivatives,0.891,Organoheterocyclic compounds,0.987,,,,C19H38N6O4S,446.2667,Purine nucleosides,0.065,Amino acids and Peptides,0.386,Oligopeptides,0.318,C19H39N6O4S+,570.67,1699
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.876,Amino acids and derivatives,0.592,Amino acids and derivatives,0.592,"Amino acids, peptides, and analogues",0.605,Organic acids and derivatives,0.937,,,,C22H34N6O3,430.2712,Dipeptides,0.04,Amino acids and Peptides,0.701,Oligopeptides,0.15,C22H35N6O3+,569.76,1700
[M + H]+,Organic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.697,,,Benzenoids,0.697,"1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one","InChI=1S/C15H22O4/c1-13(2)7-4-8-14(3)10(13)6-5-9-11(16)19-12(17)15(9,14)18/h5,10,12,17-18H,4,6-8H2,1-3H3",CC1(C)CCCC2(C)C1CC=C1C(=O)OC(O)C12O,C17H23NO4,305.163,Open-chain polyketides,0.085,Alkaloids,0.47,Macrolides,0.184,C17H24NO4+,572.75,1702
,,,,,,,,,,,,,,,,332.16,,,,,,,,573.67,1704
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.773,Amino acids and derivatives,0.616,Amino acids and derivatives,0.616,"Amino acids, peptides, and analogues",0.634,Organic acids and derivatives,0.883,,,,C24H34N6O6,502.2533,Cyclic peptides,0.047,Amino acids and Peptides,0.716,Oligopeptides,0.51,C24H35N6O6+,574.12,1707
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organonitrogen compounds; Primary alcohols; Nucleosides, nucleotides, and analogues; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Imidazopyrimidines; Substituted imidazoles; N-substituted imidazoles; Amines; Primary amines; 6-aminopurines; Imidolactams; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Imidazopyrimidines,0.733,6-aminopurines,0.795,6-aminopurines,0.795,Purines and purine derivatives,0.751,Organoheterocyclic compounds,0.996,,,,C16H26N6O3,350.2068,Purine nucleosides,0.692,Carbohydrates,0.885,Nucleosides,0.933,C16H27N6O3+,574.23,1708
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; Benzenoids; Amines; Primary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.738,Amino acids and derivatives,0.686,Alpha amino acids and derivatives,0.507,"Amino acids, peptides, and analogues",0.703,Organic acids and derivatives,0.89,,,,C20H28N6O5,432.213,Dipeptides,0.197,Amino acids and Peptides,0.91,Small peptides,0.58,C20H29N6O5+,573.43,1710
,,,,,,,,,,,,,,,,448.2806,,,,,,,,574.91,1711
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.795,Amino acids and derivatives,0.795,"Amino acids, peptides, and analogues",0.805,Organic acids and derivatives,0.997,,,,C20H30N6O4,418.2331,Dipeptides,0.139,Amino acids and Peptides,0.928,Small peptides,0.584,C20H31N6O4+,577.58,1715
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.951,Amino acids and derivatives,0.899,Alpha amino acids and derivatives,0.794,"Amino acids, peptides, and analogues",0.91,Organic acids and derivatives,0.986,,,,C24H32N6O6,500.2385,Cyclic peptides,0.325,Amino acids and Peptides,0.944,Oligopeptides,0.89,C24H33N6O6+,578.06,1716
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.571,,,Prenol lipids,0.571,,,Lipids and lipid-like molecules,0.895,,,,C26H42O8,482.2875,Open-chain polyketides,0.444,Polyketides,0.529,Linear polyketides,0.205,C26H42NaO8+,581.58,1717
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy acids and derivatives; Carboxylic acid derivatives; Oxosteroids; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Oxanes; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.671,,,Hydroxysteroids,0.668,Hydroxysteroids,0.668,Lipids and lipid-like molecules,0.941,,,,C26H40O8,480.2715,"Lanostane, Tirucallane and Euphane triterpenoids",0.247,Terpenoids,0.819,Triterpenoids,0.452,C26H40NaO8+,582.73,1718
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.51,,,Benzene and substituted derivatives,0.51,,,Benzenoids,0.536,,,,C26H34O5,426.2406,Open-chain polyketides,0.311,Polyketides,0.435,Linear polyketides,0.204,C26H35O5+,583.37,1719
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.507,,,Lipids and lipid-like molecules,0.507,,,,C24H34N3O4,428.2563,Open-chain polyketides,0.098,Amino acids and Peptides,0.454,Linear polyketides,0.38,C24H35N3O4+,581.3,1722
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.744,,,Hydroxysteroids,0.641,Hydroxysteroids,0.641,Lipids and lipid-like molecules,0.974,"""methyl (4R)-4-((3R,5S,7R,9S,10S,13R,17R)-7-acetoxy-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate""","""InChI=1S/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22?,25+,26+,27-/m1/s1""",[H][C@@]1([C@]2([C@@]3(C)[C@@H]([C@@H](CCC(OC)=O)C)CC2)[H])[C@H](OC(C)=O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]1CC3=O,C26H40O7,464.2774,Open-chain polyketides,0.071,Terpenoids,0.906,Steroids,0.367,C26H40NaO7+,584.51,1725
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Phenols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monosaccharides; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; Benzene and substituted derivatives; Benzenoids; Vinylogous amides; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,1,Glycosyl compounds,0.765,Glycosyl compounds,0.765,Carbohydrates and carbohydrate conjugates,0.74,Organic oxygen compounds,1,,,,C37H52N2O10,684.3599,Pyrimidine nucleosides,0.368,Carbohydrates,0.314,Macrolides,0.568,C37H53N2O10+,584.36,1729
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.938,,,"Bile acids, alcohols and derivatives",0.517,"Bile acids, alcohols and derivatives",0.517,Lipids and lipid-like molecules,0.993,,,,C26H42O6,450.298,Cholane steroids,0.126,Terpenoids,0.994,Steroids,0.737,C26H43O6+,586.47,1731
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Organic 1,3-dipolar compounds; Dialkylarylamines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.751,Amino acids and derivatives,0.583,Amino acids and derivatives,0.583,"Amino acids, peptides, and analogues",0.603,Organic acids and derivatives,0.794,,,,C22H38N6O6,482.2877,Tripeptides,0.234,Amino acids and Peptides,0.727,Oligopeptides,0.421,C22H38N6NaO6+,588.36,1733
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.519,,,Fatty Acyls,0.519,,,Lipids and lipid-like molecules,0.684,,,,C24H34N3O4,428.2563,Open-chain polyketides,0.875,Polyketides,0.608,Linear polyketides,0.968,C24H35N3O4+,587.08,1736
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.815,N-acyl-alpha amino acids and derivatives,0.711,"Amino acids, peptides, and analogues",0.833,Organic acids and derivatives,0.998,,,,C24H38N6O5,490.2904,Linear peptides,0.148,Amino acids and Peptides,0.986,Oligopeptides,0.848,C24H39N6O5+,586.62,1738
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy fatty acids; Eicosanoids; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.718,,,Eicosanoids,0.63,Eicosanoids,0.63,Lipids and lipid-like molecules,0.912,,,,C20H30O5,350.207,Prostaglandins,0.453,Fatty acids,0.855,Eicosanoids,0.9,C20H31O5+,588.72,1739
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Alcohols and polyols; Thiolanes; Biotin and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Monocarboxylic acids and derivatives; Thioethers; Carboxylic acids; Thia fatty acids; Carbonyl compounds; Heterocyclic fatty acids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Biotin and derivatives,0.681,,,Biotin and derivatives,0.681,,,Organoheterocyclic compounds,0.824,,,,C19H40N6O5S,464.2773,Imidazole alkaloids,0.908,Alkaloids,0.479,Histidine alkaloids,0.907,C19H39N6O4S+,590.57,1741
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.518,,,Fatty Acyls,0.518,,,Lipids and lipid-like molecules,0.882,,,,C26H40O7,464.2774,Open-chain polyketides,0.246,Polyketides,0.553,Steroids,0.226,C26H39O6+,589.64,1743
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.858,Amino acids and derivatives,0.797,Alpha amino acids and derivatives,0.625,"Amino acids, peptides, and analogues",0.814,Organic acids and derivatives,0.932,,,,C24H38N6O6,506.2845,Cyclic peptides,0.133,Amino acids and Peptides,0.969,Oligopeptides,0.706,C24H37N6O5+,590.98,1746
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Oxosteroids; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.709,,,Oxosteroids,0.583,Oxosteroids,0.583,Lipids and lipid-like molecules,0.918,,,,C26H38O5,430.2716,Open-chain polyketides,0.066,Terpenoids,0.682,Steroids,0.469,C26H39O5+,590.22,1748
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Amphetamines and derivatives; Purines and purine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Diazines; Secondary alcohols; Secondary carboxylic acid amides; Imidazopyrimidines; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.709,Amino acids and derivatives,0.528,Amino acids and derivatives,0.528,"Amino acids, peptides, and analogues",0.542,Organic acids and derivatives,0.902,,,,C22H32N6O5,460.244,Purine alkaloids,0.343,Amino acids and Peptides,0.48,Pseudoalkaloids (transamidation),0.425,C22H33N6O5+,591.15,1750
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.712,,,Fatty Acyls,0.712,,,Lipids and lipid-like molecules,0.843,,,,C56H74N2O12,966.5284,Polyene macrolides,0.61,Polyketides,0.358,Macrolides,0.903,C56H75N2O12+,591.04,1751
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.616,,,Fatty Acyls,0.616,,,Lipids and lipid-like molecules,0.722,,,,C24H32N3O3,410.2458,Open-chain polyketides,0.055,Amino acids and Peptides,0.407,Linear polyketides,0.173,C24H33N3O3+,590.45,1754
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.742,Amino acids and derivatives,0.648,Amino acids and derivatives,0.648,"Amino acids, peptides, and analogues",0.663,Organic acids and derivatives,0.789,,,,C24H34N6O5,486.2596,Dipeptides,0.095,Amino acids and Peptides,0.951,Small peptides,0.605,C24H35N6O5+,590.92,1755
[M + Na]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy fatty acids; Hydroxy acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; 3-hydroxysteroids; Steroid acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.834,"Hydroxy bile acids, alcohols and derivatives",0.659,"Hydroxy bile acids, alcohols and derivatives",0.659,"Bile acids, alcohols and derivatives",0.699,Lipids and lipid-like molecules,0.992,,,,C26H44O7,468.3081,"Lanostane, Tirucallane and Euphane triterpenoids",0.193,Terpenoids,0.981,Triterpenoids,0.474,C26H44NaO7+,593.38,1756
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.968,Amino acids and derivatives,0.558,Amino acids and derivatives,0.558,"Amino acids, peptides, and analogues",0.568,Organic acids and derivatives,0.993,,,,C30H38N4O6,550.2765,Open-chain polyketides,0.111,Amino acids and Peptides,0.725,Linear polyketides,0.318,C30H38N4NaO6+,592.37,1758
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.704,,,Hydroxysteroids,0.599,Hydroxysteroids,0.599,Lipids and lipid-like molecules,0.917,,,,C27H38O7,474.2597,Ergostane steroids,0.112,Terpenoids,0.898,Triterpenoids,0.268,C27H39O7+,592.68,1759
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.932,Amino acids and derivatives,0.858,N-acyl-alpha amino acids and derivatives,0.506,"Amino acids, peptides, and analogues",0.87,Organic acids and derivatives,0.934,,,,C20H30N6O4,418.2333,Tripeptides,0.348,Amino acids and Peptides,0.618,Small peptides,0.48,C20H31N6O4+,592.19,1761
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dialkyl ethers; Carotenoids; Xanthophylls; Tetraterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.954,Carotenoids,0.809,Xanthophylls,0.839,Tetraterpenoids,0.809,Lipids and lipid-like molecules,0.97,,,,C61H78O10,970.5575,"Carotenoids (C40, β-β)",0.883,Terpenoids,0.987,Carotenoids (C40),0.984,C61H79O10+,593.32,1762
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.759,Peptides,0.759,"Amino acids, peptides, and analogues",0.99,Organic acids and derivatives,0.999,,,,C50H78N6O12,954.5623,Cyclic peptides,0.52,Amino acids and Peptides,0.804,Oligopeptides,0.972,C50H79N6O12+,592.41,1764
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Acyclic diterpenoids; Diterpenoids; Secondary alcohols; Carbonyl compounds; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.737,Acyclic diterpenoids,0.574,Acyclic diterpenoids,0.574,Diterpenoids,0.684,Lipids and lipid-like molecules,0.923,,,,C26H40O7,464.2772,Open-chain polyketides,0.879,Polyketides,0.823,Linear polyketides,0.788,C26H40NaO7+,596.7,1765
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Hydroxy acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.7,Branched fatty acids,0.539,Methyl-branched fatty acids,0.533,Fatty acids and conjugates,0.529,Lipids and lipid-like molecules,0.836,,,,C26H42O7,466.2927,Open-chain polyketides,0.932,Polyketides,0.929,Linear polyketides,0.816,C26H42NaO7+,597.33,1769
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.53,,,Benzenoids,0.53,,,,C27H34N4O4,478.2566,Open-chain polyketides,0.063,Amino acids and Peptides,0.629,Linear polyketides,0.329,C27H34N4NaO4+,597.16,1770
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dialkyl ethers; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.852,,,Prenol lipids,0.852,,,Lipids and lipid-like molecules,0.891,,,,C61H76O10,968.5435,"Carotenoids (C40, β-β)",0.244,Terpenoids,0.763,Carotenoids (C40),0.624,C61H75O9+,596.58,1771
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.891,Oligopeptides,0.622,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,0.999,,,,C46H70N12O12,982.5237,Cyclic peptides,0.721,Amino acids and Peptides,0.985,Oligopeptides,0.999,C46H69N12O11+,597.33,1772
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Steroid lactones; Monocarboxylic acids and derivatives; Oxosteroids; Cyclic alcohols and derivatives; Carbonyl compounds; 3-oxosteroids; Cyclic ketones; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.816,,,Steroid lactones,0.564,Steroid lactones,0.564,Lipids and lipid-like molecules,0.909,,,,C26H34O6,442.2356,Ergostane steroids,0.262,Terpenoids,0.92,Steroids,0.466,C26H33O5+,596.81,1773
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.819,,,Heteroaromatic compounds,0.819,,,Organoheterocyclic compounds,0.981,,,,C24H32N3O3,410.2457,Open-chain polyketides,0.636,Polyketides,0.455,Linear polyketides,0.787,C24H33N3O3+,596.93,1775
[M + H]+,Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Organophosphorus compounds; Organic phosphonic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Phosphonic acid diesters; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organic phosphonic acids and derivatives,0.502,,,Phosphonic acid diesters,0.564,Phosphonic acid diesters,0.564,Organic acids and derivatives,0.974,,,,C19H39O8P,426.2404,Glycerophosphates,0.051,Fatty acids,0.677,Glycerophospholipids,0.606,C19H40O8P+,596.93,1776
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.974,Peptides,0.542,Peptides,0.542,"Amino acids, peptides, and analogues",0.84,Organic acids and derivatives,0.995,,,,C25H42N8O12,646.2954,Linear peptides,0.564,Amino acids and Peptides,0.921,Oligopeptides,0.701,C25H43N8O12+,594.95,1779
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.874,Amino acids and derivatives,0.642,Alpha amino acids and derivatives,0.505,"Amino acids, peptides, and analogues",0.66,Organic acids and derivatives,0.923,,,,C24H34N6O6,502.254,Cyclic peptides,0.095,Amino acids and Peptides,0.904,Oligopeptides,0.672,C24H35N6O6+,597.27,1783
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.554,,,Benzenoids,0.554,,,,C56H74N2O12,966.5283,Polyene macrolides,0.647,Polyketides,0.314,Macrolides,0.903,C56H75N2O12+,597.16,1785
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.765,,,Heteroaromatic compounds,0.765,,,Organoheterocyclic compounds,0.974,,,,C24H34N3O4,428.2561,Open-chain polyketides,0.52,Amino acids and Peptides,0.306,Linear polyketides,0.574,C24H35N3O4+,599.49,1788
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.608,,,Lipids and lipid-like molecules,0.608,,,,C26H36O6,444.2508,Open-chain polyketides,0.102,Terpenoids,0.593,Triterpenoids,0.287,C26H37O6+,599.76,1789
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Tertiary alkylarylamines; Alkanolamines; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.853,Dialkylarylamines,0.896,Amines,0.977,Organic nitrogen compounds,1,,,,C22H32N6O5,460.2441,Tripeptides,0.01,Amino acids and Peptides,0.407,Small peptides,0.071,C22H33N6O5+,602.39,1793
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.633,Peptides,0.633,"Amino acids, peptides, and analogues",0.865,Organic acids and derivatives,0.998,,,,C22H30N3O5,416.2175,Tripeptides,0.415,Amino acids and Peptides,0.982,Small peptides,0.859,C22H31N3O5+,604.72,1799
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Prenol lipids,0.587,,,Prenol lipids,0.587,,,Lipids and lipid-like molecules,0.839,,,,C37H52N2O10,684.3604,Open-chain polyketides,0.178,Amino acids and Peptides,0.7,Macrolides,0.557,C37H53N2O10+,605.07,1801
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Organic nitro compounds; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Allyl-type 1,3-dipolar organic compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.683,Amino acids and derivatives,0.727,Alpha amino acids and derivatives,0.576,"Amino acids, peptides, and analogues",0.745,Organic acids and derivatives,0.752,,,,C24H36N6O6,504.2694,Tripeptides,0.136,Amino acids and Peptides,0.918,Small peptides,0.505,C24H37N6O6+,606.95,1803
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.695,Amino acids and derivatives,0.526,Amino acids and derivatives,0.526,"Amino acids, peptides, and analogues",0.533,Organic acids and derivatives,0.818,,,,C24H34N6O6,502.2539,Purine nucleosides,0.047,Amino acids and Peptides,0.666,Small peptides,0.269,C24H35N6O6+,607.29,1805
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Organooxygen compounds,0.999,Glycosyl compounds,0.522,Glycosyl compounds,0.522,Carbohydrates and carbohydrate conjugates,0.414,Organic oxygen compounds,0.999,,,,C54H78O16,982.525,Spirotetronate macrolides,0.313,Polyketides,0.708,Macrolides,0.485,C54H79O16+,607.49,1807
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.682,,,Lipids and lipid-like molecules,0.682,,,,C24H34N3O4,428.2562,Open-chain polyketides,0.497,Amino acids and Peptides,0.696,Linear polyketides,0.719,C24H35N3O4+,607.64,1808
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Benzoyl derivatives; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.751,,,Benzoyl derivatives,0.518,Benzoyl derivatives,0.518,Benzenoids,0.814,,,,C26H34O5,426.2406,Open-chain polyketides,0.077,Polyketides,0.583,Linear polyketides,0.105,C26H35O5+,607.18,1809
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.96,Amino acids and derivatives,0.507,Amino acids and derivatives,0.507,"Amino acids, peptides, and analogues",0.514,Organic acids and derivatives,0.972,,,,C62H72N4O7,984.5372,Depsipeptides,0.054,Alkaloids,0.564,Tryptophan alkaloids,0.202,C62H71N4O6+,607.43,1810
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.901,N-acyl-alpha amino acids and derivatives,0.566,"Amino acids, peptides, and analogues",0.914,Organic acids and derivatives,0.999,,,,C24H34N6O5,486.2592,Cyclic peptides,0.156,Amino acids and Peptides,0.96,Oligopeptides,0.956,C24H35N6O5+,606.82,1813
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.538,Amino acids and derivatives,0.538,"Amino acids, peptides, and analogues",0.554,Organic acids and derivatives,0.999,,,,C26H36N3O6,486.2592,Open-chain polyketides,0.049,Amino acids and Peptides,0.929,Oligopeptides,0.341,C26H37N3O6+,608.11,1814
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.916,Peptides,0.538,Peptides,0.538,"Amino acids, peptides, and analogues",0.874,Organic acids and derivatives,0.978,,,,C24H32N6O6,500.2384,Cyclic peptides,0.169,Amino acids and Peptides,0.96,Oligopeptides,0.968,C24H33N6O6+,606.94,1815
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Guanidines; Monoalkylamines; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.831,Amino acids and derivatives,0.839,Alpha amino acids and derivatives,0.83,"Amino acids, peptides, and analogues",0.844,Organic acids and derivatives,0.908,,,,C11H30N12O5,410.2456,Aminoacids,0.262,Amino acids and Peptides,0.802,Small peptides,0.843,C11H31N12O5+,608.11,1816
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.59,,,Fatty Acyls,0.59,,,Lipids and lipid-like molecules,0.776,,,,C56H74N2O11,950.5335,Polyene macrolides,0.369,Polyketides,0.332,Macrolides,0.944,C56H75N2O11+,606.77,1818
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.628,,,Benzenoids,0.628,,,,C27H34N4O2,446.2664,Carboline alkaloids,0.069,Alkaloids,0.707,Tryptophan alkaloids,0.461,C27H35N4O2+,606.58,1822
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.946,Peptides,0.586,Peptides,0.586,"Amino acids, peptides, and analogues",0.91,Organic acids and derivatives,0.988,,,,C24H32N6O6,500.2387,Cyclic peptides,0.378,Amino acids and Peptides,0.949,Oligopeptides,0.926,C24H33N6O6+,607.05,1824
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; Polyols; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.996,Glycosyl compounds,0.622,Glycosyl compounds,0.622,Carbohydrates and carbohydrate conjugates,0.491,Organic oxygen compounds,0.998,,,,C49H80N2O17,968.5437,Open-chain polyketides,0.675,Polyketides,0.524,Macrolides,0.819,C49H81N2O17+,609.15,1826
,,,,,,,,,,,,,,,,525.3298,,,,,,,,609.95,1829
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.574,Peptides,0.574,"Amino acids, peptides, and analogues",0.928,Organic acids and derivatives,0.999,,,,C24H40N3O6,466.2929,Tripeptides,0.339,Amino acids and Peptides,0.953,Oligopeptides,0.513,C24H39N3O5+,610.67,1830
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Branched fatty acids; Unsaturated fatty acids; Hydroxy fatty acids; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.741,Branched fatty acids,0.608,Methyl-branched fatty acids,0.605,Fatty acids and conjugates,0.583,Lipids and lipid-like molecules,0.87,,,,C26H42O7,466.2927,Open-chain polyketides,0.944,Polyketides,0.877,Linear polyketides,0.833,C26H42NaO7+,610.44,1832
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Amino acids and derivatives; Monoalkylamines; Hydroxy acids and derivatives; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; Alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.929,N-acyl-alpha amino acids and derivatives,0.559,"Amino acids, peptides, and analogues",0.931,Organic acids and derivatives,0.999,,,,C23H42N2O9,490.289,Sphingoid bases,0.21,Fatty acids,0.771,Spingolipids,0.229,C23H43N2O9+,611.36,1833
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.867,Oligopeptides,0.654,"Amino acids, peptides, and analogues",0.974,Organic acids and derivatives,0.999,,,,C50H78N6O12,954.5627,Cyclic peptides,0.662,Amino acids and Peptides,0.986,Oligopeptides,0.964,C50H79N6O12+,610.55,1834
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.378,Cyclic depsipeptides,0.566,Cyclic depsipeptides,0.566,Depsipeptides,0.434,Organic acids and derivatives,0.999,,,,C24H42N6O8S,574.2756,Depsipeptides,0.28,Amino acids and Peptides,0.873,Oligopeptides,0.999,C24H43N6O8S+,611.61,1835
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Aminopyrimidines and derivatives; Diazines; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.658,Amino acids and derivatives,0.517,Amino acids and derivatives,0.517,"Amino acids, peptides, and analogues",0.522,Organic acids and derivatives,0.683,,,,C20H28N6O4,416.2176,Purine nucleosides,0.039,Alkaloids,0.273,Nucleosides,0.237,C20H29N6O4+,613.2,1836
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.839,Oligopeptides,0.506,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.999,,,,C42H66N12O9,882.5079,Cyclic peptides,0.676,Amino acids and Peptides,0.975,Oligopeptides,0.999,C42H67N12O9+,611.82,1837
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic 1,3-dipolar compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.953,Peptides,0.626,Peptides,0.626,"Amino acids, peptides, and analogues",0.904,Organic acids and derivatives,0.977,,,,C30H44N6O9,632.3151,Cyclic peptides,0.438,Amino acids and Peptides,0.957,Oligopeptides,0.98,C30H45N6O9+,613.48,1839
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.944,Amino acids and derivatives,0.504,Amino acids and derivatives,0.504,"Amino acids, peptides, and analogues",0.509,Organic acids and derivatives,0.981,,,,C24H34N3O4,428.2562,Open-chain polyketides,0.3,Amino acids and Peptides,0.589,Linear polyketides,0.354,C24H35N3O4+,614.72,1842
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Macrolides and analogues; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.535,Cyclic depsipeptides,0.725,Cyclic depsipeptides,0.725,Depsipeptides,0.707,Organic acids and derivatives,0.999,,,,C30H46N6O9,634.3316,Depsipeptides,0.899,Polyketides,0.84,Oligopeptides,0.999,C30H47N6O9+,614.83,1844
,,,,,,,,,,,,,,,,412.2609,,,,,,,,615.08,1845
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.926,Oligopeptides,0.528,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.998,,,,C47H70N16O7,970.5589,Cyclic peptides,0.675,Amino acids and Peptides,0.994,Oligopeptides,0.992,C47H71N16O7+,614.83,1846
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.977,Amino acids and derivatives,0.903,N-acyl-alpha amino acids and derivatives,0.738,"Amino acids, peptides, and analogues",0.919,Organic acids and derivatives,0.99,,,,C24H36N6O6,504.2699,Cyclic peptides,0.305,Amino acids and Peptides,0.988,Oligopeptides,0.91,C24H37N6O6+,615.18,1849
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.584,,,Steroids and steroid derivatives,0.584,,,Lipids and lipid-like molecules,0.916,,,,C26H38O5,430.2717,Monocarbocyclic sesterterpenoids,0.113,Terpenoids,0.821,Sesterterpenoids,0.308,C26H39O5+,615.41,1850
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.593,Peptides,0.593,"Amino acids, peptides, and analogues",0.959,Organic acids and derivatives,1,,,,C24H34N3O6,460.2443,Dipeptides,0.111,Amino acids and Peptides,0.987,Small peptides,0.422,C24H35N3O6+,615.48,1851
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Monocarboxylic acids and derivatives; Carbonyl compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Fatty Acyls,0.574,,,Fatty Acyls,0.574,,,Lipids and lipid-like molecules,0.583,,,,C21H38N3O4S,428.2562,Imidazole alkaloids,0.527,Amino acids and Peptides,0.433,Histidine alkaloids,0.524,C21H39N3O4S+,616.79,1853
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.941,Oligopeptides,0.677,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.999,,,,C46H72N12O10,952.5496,Cyclic peptides,0.751,Amino acids and Peptides,0.993,Oligopeptides,0.998,C46H73N12O10+,615.76,1854
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.95,Peptides,0.7,Oligopeptides,0.593,"Amino acids, peptides, and analogues",0.876,Organic acids and derivatives,0.985,,,,C30H42N6O9,630.3005,Linear peptides,0.303,Amino acids and Peptides,0.976,Oligopeptides,0.847,C30H43N6O9+,615.76,1858
[M + H]+,"Organic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.698,N-acyl-alpha amino acids and derivatives,0.59,"Amino acids, peptides, and analogues",0.706,Organic acids and derivatives,0.999,,,,C23H42N2O10,506.2825,Aminosugars,0.047,Amino acids and Peptides,0.322,Aminosugars and aminoglycosides,0.206,C23H43N2O10+,618.5,1862
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.842,Oligopeptides,0.575,"Amino acids, peptides, and analogues",0.983,Organic acids and derivatives,1,,,,C24H38N6O6,506.2852,Cyclic peptides,0.527,Amino acids and Peptides,0.999,Oligopeptides,0.973,C24H37N6O5+,617.21,1863
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.945,Amino acids and derivatives,0.588,Amino acids and derivatives,0.588,"Amino acids, peptides, and analogues",0.611,Organic acids and derivatives,0.969,,,,C24H38N6O6,506.2855,Tripeptides,0.076,Amino acids and Peptides,0.841,Oligopeptides,0.197,C24H37N6O5+,618.16,1864
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.979,Peptides,0.7,Oligopeptides,0.57,"Amino acids, peptides, and analogues",0.943,Organic acids and derivatives,0.996,,,,C30H42N6O9,630.3001,Linear peptides,0.35,Amino acids and Peptides,0.983,Oligopeptides,0.917,C30H43N6O9+,617.95,1867
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.89,Alpha amino acids and derivatives,0.732,"Amino acids, peptides, and analogues",0.893,Organic acids and derivatives,0.998,,,,C23H38N2O10,502.2539,Open-chain polyketides,0.152,Amino acids and Peptides,0.616,Small peptides,0.19,C23H39N2O10+,618.98,1870
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.553,,,Steroids and steroid derivatives,0.553,,,Lipids and lipid-like molecules,0.904,,,,C25H36O3,384.2663,Ophiobolane sesterterpenoids,0.126,Terpenoids,0.865,Steroids,0.254,C25H37O3+,617.96,1871
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.833,Alpha amino acids and derivatives,0.595,"Amino acids, peptides, and analogues",0.847,Organic acids and derivatives,0.996,,,,C24H38N3O5,448.2823,Tripeptides,0.098,Amino acids and Peptides,0.957,Oligopeptides,0.431,C24H39N3O5+,621.48,1873
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.974,Amino acids and derivatives,0.731,Alpha amino acids and derivatives,0.501,"Amino acids, peptides, and analogues",0.747,Organic acids and derivatives,0.993,,,,C24H34N6O5,486.2593,Cyclic peptides,0.103,Amino acids and Peptides,0.82,Oligopeptides,0.568,C24H35N6O5+,620.25,1874
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Phosphatidylinositols; Lysophosphatidylinositols; Secondary alcohols; Carbonyl compounds; 1-acyl-sn-glycerol-3-phosphoinositols; Glycerophosphoinositols; Polyols; Cyclitols and derivatives; Inositol phosphates; Cyclohexanols; Alkyl phosphates; Dialkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Glycerophospholipids,0.997,Phosphatidylinositols,0.709,Phosphatidylinositols,0.709,Glycerophosphoinositols,0.997,Lipids and lipid-like molecules,0.995,,,,C24H47O13P,574.2752,Glycerophosphoinositols,0.941,Fatty acids,1,Glycerophospholipids,1,C24H48O13P+,620.38,1875
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.966,Oligopeptides,0.797,"Amino acids, peptides, and analogues",0.997,Organic acids and derivatives,1,,,,C46H70N12O10,950.5337,Cyclic peptides,0.744,Amino acids and Peptides,0.998,Oligopeptides,0.996,C46H71N12O10+,621.89,1877
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.99,Peptides,0.807,Oligopeptides,0.523,"Amino acids, peptides, and analogues",0.979,Organic acids and derivatives,0.997,,,,C22H28N6O5,456.2127,Dipeptides,0.404,Amino acids and Peptides,0.992,Oligopeptides,0.904,C22H29N6O5+,619.66,1879
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.627,,,Lipids and lipid-like molecules,0.627,,,,C26H34O4,410.2457,Open-chain polyketides,0.273,Polyketides,0.653,Linear polyketides,0.255,C26H35O4+,620.49,1880
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.878,Alpha amino acids and derivatives,0.828,"Amino acids, peptides, and analogues",0.891,Organic acids and derivatives,0.995,,,,C24H32N6O5,484.2445,Cyclic peptides,0.429,Amino acids and Peptides,0.974,Oligopeptides,0.843,C24H33N6O5+,619.79,1881
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.736,,,Lipids and lipid-like molecules,0.736,,,,C26H38O7,462.2617,Open-chain polyketides,0.401,Polyketides,0.657,Linear polyketides,0.395,C26H38NaO7+,622.66,1882
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.516,,,Benzene and substituted derivatives,0.516,,,Benzenoids,0.422,,,,C26H32O4,408.2299,Apocarotenoids (β-),0.137,Terpenoids,0.872,Carotenoids (C40),0.149,C26H33O4+,622.24,1883
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Thiazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.98,Amino acids and derivatives,0.774,Alpha amino acids and derivatives,0.552,"Amino acids, peptides, and analogues",0.787,Organic acids and derivatives,0.997,"""methyl (6R,E)-2-methyl-6-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-2-enoate""","""InChI=1S/C28H46O5/c1-16(7-6-8-17(2)26(32)33-5)20-9-10-21-25-22(15-24(31)28(20,21)4)27(3)12-11-19(29)13-18(27)14-23(25)30/h8,16,18-25,29-31H,6-7,9-15H2,1-5H3/b17-8+/t16-,18+,19-,20-,21+,22+,23-,24+,25+,27+,28-/m1/s1""",[H][C@@]12[C@H](O)C[C@@H]3C[C@H](O)CC[C@]3(C)[C@H]1C[C@H](O)[C@@]4(C)[C@H]2CC[C@@H]4[C@@H](CC/C=C(C)/C(OC)=O)C,C48H76N4O13S,948.5177,Linear peptides,0.12,Amino acids and Peptides,0.63,Oligopeptides,0.869,C48H77N4O13S+,621.08,1884
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Dialkyl ethers; Aminopyrimidines and derivatives; Diazines; Benzenoids; Amines; Imidolactams; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.791,Aminopyrimidines and derivatives,0.821,Aminopyrimidines and derivatives,0.821,Pyrimidines and pyrimidine derivatives,0.758,Organoheterocyclic compounds,0.996,,,,C23H34N6O5,474.2592,Purine alkaloids,0.347,Alkaloids,0.873,Pseudoalkaloids (transamidation),0.687,C23H35N6O5+,621.27,1887
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Cyclic peptides; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,1,Peptides,0.975,Oligopeptides,0.968,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,1,,,,C35H57N7O6,671.4363,Cyclic peptides,0.998,Amino acids and Peptides,1,Oligopeptides,1,C35H58N7O6+,623.81,1888
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Macrolides and analogues; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.855,Cyclic depsipeptides,0.838,Cyclic depsipeptides,0.838,Depsipeptides,0.818,Organic acids and derivatives,1,,,,C36H62N4O10,710.446,Depsipeptides,0.509,Amino acids and Peptides,0.586,Oligopeptides,0.996,C36H63N4O10+,623.44,1889
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.936,,,"Amino acids, peptides, and analogues",0.505,"Amino acids, peptides, and analogues",0.505,Organic acids and derivatives,0.977,,,,C17H23NO3,289.1681,Dipeptides,0.102,Amino acids and Peptides,0.844,Small peptides,0.402,C17H22NO2+,623.76,1890
,,,,,,,,,,,,,,,,693.418,,,,,,,,623.98,1891
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Amines; Organic 1,3-dipolar compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.924,Amino acids and derivatives,0.704,Amino acids and derivatives,0.704,"Amino acids, peptides, and analogues",0.714,Organic acids and derivatives,0.968,,,,C24H36N6O6,504.2696,Tripeptides,0.056,Amino acids and Peptides,0.745,Small peptides,0.35,C24H37N6O6+,623.75,1896
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Dicarboxylic acids and derivatives; Amino acids and derivatives; Peptides; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Benzyloxycarbonyls; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.72,Peptides,0.72,"Amino acids, peptides, and analogues",0.975,Organic acids and derivatives,1,,,,C19H32N2O8,416.2176,Tripeptides,0.223,Amino acids and Peptides,0.795,Small peptides,0.478,C19H33N2O8+,623.75,1898
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.92,Oligopeptides,0.62,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.999,,,,C42H66N12O9,882.5081,Cyclic peptides,0.691,Amino acids and Peptides,0.993,Oligopeptides,0.998,C42H67N12O9+,623.07,1899
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Azoles; Thioethers; Amines; Tertiary amines; Dialkylthioethers; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.543,,,Azoles,0.543,,,Organoheterocyclic compounds,0.984,,,,C19H38N6O3S,430.2716,Cyclamides,0.198,Alkaloids,0.317,Oligopeptides,0.084,C19H39N6O3S+,627.5,1904
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.985,Peptides,0.871,Oligopeptides,0.592,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.997,,,,C40H66N12O8,842.5132,Cyclic peptides,0.595,Amino acids and Peptides,0.992,Oligopeptides,0.994,C40H67N12O8+,628.32,1911
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.734,Alpha amino acids and derivatives,0.542,"Amino acids, peptides, and analogues",0.753,Organic acids and derivatives,0.997,,,,C25H36N3O6,474.2589,Open-chain polyketides,0.153,Amino acids and Peptides,0.946,Linear polyketides,0.541,C25H37N3O6+,630.5,1912
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Benzene and substituted derivatives; Benzenoids; Amines; Alkanolamines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.612,Aminopyrimidines and derivatives,0.69,Aminopyrimidines and derivatives,0.69,Pyrimidines and pyrimidine derivatives,0.67,Organoheterocyclic compounds,0.997,,,,C23H36N6O4,460.2799,Purine alkaloids,0.047,Alkaloids,0.371,Pseudoalkaloids (transamidation),0.242,C23H37N6O4+,628.91,1913
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.873,Amino acids and derivatives,0.662,Amino acids and derivatives,0.662,"Amino acids, peptides, and analogues",0.67,Organic acids and derivatives,0.919,,,,C24H32N6O6,500.2383,Dipeptides,0.158,Amino acids and Peptides,0.687,Small peptides,0.288,C24H33N6O6+,630.5,1914
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Benzene and substituted derivatives; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.828,Aminopyrimidines and derivatives,0.762,Aminopyrimidines and derivatives,0.762,Pyrimidines and pyrimidine derivatives,0.798,Organoheterocyclic compounds,0.959,,,,C18H30N6O4,394.2347,Purine nucleosides,0.181,Amino acids and Peptides,0.757,Small peptides,0.38,C18H29N6O3+,629.57,1916
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.969,Amino acids and derivatives,0.551,Amino acids and derivatives,0.551,"Amino acids, peptides, and analogues",0.551,Organic acids and derivatives,0.982,,,,C40H56N2O8,692.4014,Cytochalasan alkaloids,0.228,Amino acids and Peptides,0.321,Macrolides,0.264,C40H57N2O8+,630.79,1917
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.738,,,Lipids and lipid-like molecules,0.738,,,,C26H40O7,464.2765,Open-chain polyketides,0.778,Polyketides,0.834,Linear polyketides,0.659,C26H40NaO7+,630.39,1918
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.974,Peptides,0.707,Peptides,0.707,"Amino acids, peptides, and analogues",0.938,Organic acids and derivatives,0.993,,,,C30H46N6O9,634.3316,Cyclic peptides,0.197,Amino acids and Peptides,0.872,Oligopeptides,0.896,C30H47N6O9+,631.42,1923
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.842,Amino acids and derivatives,0.567,Amino acids and derivatives,0.567,"Amino acids, peptides, and analogues",0.575,Organic acids and derivatives,0.891,,,,C20H30N6O4,418.2323,Aminoacids,0.051,Amino acids and Peptides,0.529,Small peptides,0.423,C20H31N6O4+,629.82,1925
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.978,Amino acids and derivatives,0.58,Alpha amino acids and derivatives,0.623,"Amino acids, peptides, and analogues",0.61,Organic acids and derivatives,0.997,,,,C26H40N4O7S,552.2636,Cyclamides,0.281,Amino acids and Peptides,0.888,Oligopeptides,0.972,C26H41N4O7S+,630.27,1928
[M + H]+,Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Secondary alcohols; Amines; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.977,Secondary alcohols,0.535,Secondary alcohols,0.535,Alcohols and polyols,0.774,Organic oxygen compounds,0.995,,,,C16H36N2O7,368.2507,N-acyl amines,0.632,Fatty acids,0.922,Fatty amides,0.523,C16H37N2O7+,630.85,1929
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Hydroxamic acids; Carboxylic acid amides; Carboxylic acid derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Cyclic peptides; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.67,Oligopeptides,0.612,"Amino acids, peptides, and analogues",0.92,Organic acids and derivatives,0.999,,,,C39H68N8O12,840.4967,Cyclic peptides,0.971,Amino acids and Peptides,0.985,Oligopeptides,0.993,C39H69N8O12+,629.82,1931
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.683,Aminopyrimidines and derivatives,0.722,Aminopyrimidines and derivatives,0.722,Pyrimidines and pyrimidine derivatives,0.707,Organoheterocyclic compounds,0.979,,,,C24H36N6O4,472.2794,Purine alkaloids,0.101,Amino acids and Peptides,0.368,Pseudoalkaloids (transamidation),0.363,C24H37N6O4+,629.7,1932
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.752,N-acyl-alpha amino acids and derivatives,0.616,"Amino acids, peptides, and analogues",0.776,Organic acids and derivatives,0.997,,,,C24H36N6O5,488.2746,Linear peptides,0.175,Amino acids and Peptides,0.958,Oligopeptides,0.783,C24H37N6O5+,632.57,1935
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.536,,,Lipids and lipid-like molecules,0.536,,,,C24H36N6O5,488.2748,Open-chain polyketides,0.057,Alkaloids,0.505,Pseudoalkaloids (transamidation),0.377,C24H37N6O5+,632.79,1936
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.745,,,Lipids and lipid-like molecules,0.745,,,,C26H38O7,462.2615,Open-chain polyketides,0.783,Polyketides,0.882,Linear polyketides,0.596,C26H38NaO7+,634.69,1938
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.656,Dialkylarylamines,0.688,Amines,0.884,Organic nitrogen compounds,1,,,,C24H36N6O5,488.2757,Purine nucleosides,0.081,Alkaloids,0.272,Nucleosides,0.209,C24H36N6NaO5+,633.88,1939
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.719,,,Lipids and lipid-like molecules,0.719,,,,C26H38O5,430.2718,Open-chain polyketides,0.305,Polyketides,0.62,Linear polyketides,0.193,C26H39O5+,633.42,1940
[M + H]+,Organic compounds; Organoheterocyclic compounds; Tetrazoles; Alkyl aryl ethers; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Phenol ethers,0.667,,,Phenol ethers,0.667,,,Benzenoids,0.981,,,,C27H32N6O4,504.2489,Cyclamides,0.018,Amino acids and Peptides,0.395,Small peptides,0.042,C27H33N6O4+,633.59,1941
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.854,Oligopeptides,0.655,"Amino acids, peptides, and analogues",0.983,Organic acids and derivatives,0.999,,,,C43H75N11O13,953.5528,Cyclic peptides,0.844,Amino acids and Peptides,0.992,Oligopeptides,0.997,C43H76N11O13+,633.56,1943
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.982,Peptides,0.51,Peptides,0.51,"Amino acids, peptides, and analogues",0.955,Organic acids and derivatives,0.994,,,,C24H32N6O5,484.2433,Linear peptides,0.473,Amino acids and Peptides,0.996,Oligopeptides,0.95,C24H33N6O5+,634.16,1946
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.58,,,Benzenoids,0.58,,,,C56H74N2O11,950.5337,Polyene macrolides,0.218,Polyketides,0.323,Macrolides,0.821,C56H75N2O11+,634.51,1947
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.611,,,Lipids and lipid-like molecules,0.611,,,,C24H34N3O4,428.2562,Imidazole alkaloids,0.143,Alkaloids,0.553,Tryptophan alkaloids,0.147,C24H35N3O4+,633.36,1948
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.97,Amino acids and derivatives,0.872,N-acyl-alpha amino acids and derivatives,0.524,"Amino acids, peptides, and analogues",0.884,Organic acids and derivatives,0.989,,,,C24H34N6O5,486.2591,Cyclic peptides,0.181,Amino acids and Peptides,0.939,Oligopeptides,0.927,C24H35N6O5+,632.45,1949
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.779,Oligopeptides,0.553,"Amino acids, peptides, and analogues",0.979,Organic acids and derivatives,0.999,,,,C50H78N6O12,954.5654,Cyclic peptides,0.6,Amino acids and Peptides,0.907,Oligopeptides,0.977,C50H79N6O12+,633.71,1950
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.878,N-acyl-alpha amino acids and derivatives,0.697,"Amino acids, peptides, and analogues",0.897,Organic acids and derivatives,0.997,,,,C29H45N5O5,543.3398,Tripeptides,0.223,Amino acids and Peptides,0.974,Oligopeptides,0.847,C29H44N5O4+,634.86,1951
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.897,N-acyl-alpha amino acids and derivatives,0.739,"Amino acids, peptides, and analogues",0.912,Organic acids and derivatives,0.994,,,,C29H45N5O5,543.3401,Linear peptides,0.232,Amino acids and Peptides,0.975,Oligopeptides,0.886,C29H44N5O4+,635.09,1952
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.826,Oligopeptides,0.609,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,0.999,,,,C44H66N6O10,838.4833,Cyclic peptides,0.775,Amino acids and Peptides,0.957,Oligopeptides,0.992,C44H67N6O10+,635.55,1954
[M + Na]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.891,Alpha amino acids and derivatives,0.674,"Amino acids, peptides, and analogues",0.894,Organic acids and derivatives,0.999,,,,C18H28N3O4,350.2091,Dipeptides,0.348,Amino acids and Peptides,0.843,Small peptides,0.909,C18H28N3NaO4+,636.59,1955
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.833,Oligopeptides,0.638,"Amino acids, peptides, and analogues",0.992,Organic acids and derivatives,0.999,,,,C39H64N8O12,836.4682,Cyclic peptides,0.647,Amino acids and Peptides,0.983,Oligopeptides,0.994,C39H65N8O12+,636.49,1956
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Diazines; Secondary alcohols; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.696,,,Benzene and substituted derivatives,0.696,,,Benzenoids,0.885,,,,C24H36N6O4,472.2798,Purine alkaloids,0.039,Amino acids and Peptides,0.564,Pseudoalkaloids (transamidation),0.192,C24H37N6O4+,637.17,1959
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Unsaturated fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Ketones,0.91,Cyclohexenones,0.642,Carbonyl compounds,0.968,Organic oxygen compounds,1,,,,C24H36O5,462.2617,"Lanostane, Tirucallane and Euphane triterpenoids",0.042,Terpenoids,0.913,Triterpenoids,0.282,C24H36NaO5+,638.22,1961
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.566,,,Lipids and lipid-like molecules,0.566,,,,C24H36N3O6,462.2618,Open-chain polyketides,0.464,Alkaloids,0.375,Linear polyketides,0.526,C24H33N3O4+,639.26,1962
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.731,,,Lipids and lipid-like molecules,0.731,,,,C26H38O7,462.2621,Open-chain polyketides,0.486,Polyketides,0.795,Macrolides,0.628,C26H38NaO7+,638.79,1964
[M + K]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.982,Amino acids and derivatives,0.541,Amino acids and derivatives,0.541,"Amino acids, peptides, and analogues",0.547,Organic acids and derivatives,0.994,,,,C21H38N2O9,462.2595,Open-chain polyketides,0.119,Amino acids and Peptides,0.415,Linear polyketides,0.251,C21H38KN2O9+,638.54,1965
,,,,,,,,,,,,,,,,394.2333,,,,,,,,639.03,1967
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.542,,,Fatty Acyls,0.542,,,Lipids and lipid-like molecules,0.838,,,,C22H34O6,394.2356,Open-chain polyketides,0.181,Polyketides,0.306,Eicosanoids,0.153,C22H34NaO6+,639.14,1968
[M + H]+,"Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Cysteine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.944,N-acyl-alpha amino acids and derivatives,0.616,"Amino acids, peptides, and analogues",0.948,Organic acids and derivatives,0.998,,,,C18H36N2O6S,408.2301,Aminoglycosides,0.18,Fatty acids,0.568,Aminosugars and aminoglycosides,0.224,C18H37N2O6S+,639.49,1969
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Primary carboxylic acid amides; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.734,Amino acids and derivatives,0.527,Amino acids and derivatives,0.527,"Amino acids, peptides, and analogues",0.534,Organic acids and derivatives,0.845,,,,C20H30N6O4,418.2323,Purine alkaloids,0.17,Alkaloids,0.538,Small peptides,0.175,C20H31N6O4+,638.9,1970
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.609,Peptides,0.609,"Amino acids, peptides, and analogues",0.967,Organic acids and derivatives,0.999,,,,C39H66N8O12,838.4815,Cyclic peptides,0.642,Amino acids and Peptides,0.966,Oligopeptides,0.992,C39H67N8O12+,639.37,1972
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Peptides,0.677,Peptides,0.677,"Amino acids, peptides, and analogues",0.987,Organic acids and derivatives,0.996,,,,C47H62N16O6,946.5035,Cyclic peptides,0.473,Amino acids and Peptides,0.973,Oligopeptides,0.987,C47H63N16O6+,639.49,1973
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.923,Amino acids and derivatives,0.732,N-acyl-alpha amino acids and derivatives,0.595,"Amino acids, peptides, and analogues",0.75,Organic acids and derivatives,0.968,,,,C30H46N6O9,634.3316,Linear peptides,0.387,Amino acids and Peptides,0.799,Oligopeptides,0.881,C30H47N6O9+,638.1,1978
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Tricarboxylic acids and derivatives; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Carboxylic acids and derivatives,0.953,,,Tricarboxylic acids and derivatives,0.557,Tricarboxylic acids and derivatives,0.557,Organic acids and derivatives,0.981,,,,C56H72N2O11,948.5179,Antimycins,0.121,Terpenoids,0.299,Macrolides,0.822,C56H73N2O11+,640.64,1987
,,,,,,,,,,,,,,,,632.317,,,,,,,,640.78,1988
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic 1,3-dipolar compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.983,Amino acids and derivatives,0.63,Amino acids and derivatives,0.63,"Amino acids, peptides, and analogues",0.64,Organic acids and derivatives,0.994,,,,C25H36N6O7,532.2667,Cyclic peptides,0.08,Amino acids and Peptides,0.562,Oligopeptides,0.257,C25H36N6NaO7+,642.23,1990
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.521,,,Lipids and lipid-like molecules,0.521,,,,C29H34O6,478.2358,Limonoids,0.455,Terpenoids,0.619,Triterpenoids,0.597,C29H35O6+,642.05,1991
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.905,Oligopeptides,0.702,"Amino acids, peptides, and analogues",0.98,Organic acids and derivatives,0.999,,,,C26H36N5O11,594.2401,Cyclic peptides,0.312,Amino acids and Peptides,0.997,Oligopeptides,0.833,C26H37N5O11+,642.38,1992
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.907,,,Heteroaromatic compounds,0.907,,,Organoheterocyclic compounds,0.991,,,,C26H34N6O5,510.2592,Open-chain polyketides,0.057,Alkaloids,0.524,Linear polyketides,0.112,C26H35N6O5+,641.24,1994
,,,,,,,,,,,,,,,,392.235,,,,,,,,641.83,1995
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.734,Peptides,0.734,"Amino acids, peptides, and analogues",0.969,Organic acids and derivatives,0.998,,,,C22H30N6O5,458.2282,Tripeptides,0.612,Amino acids and Peptides,0.99,Oligopeptides,0.858,C22H31N6O5+,641.01,1996
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.697,,,Hydroxysteroids,0.636,Hydroxysteroids,0.636,Lipids and lipid-like molecules,0.934,,,,C29H38O8,514.2561,"Lanostane, Tirucallane and Euphane triterpenoids",0.167,Terpenoids,0.896,Triterpenoids,0.563,C29H37O7+,644.05,1999
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Substituted pyrroles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Pyrroles,0.586,,,Substituted pyrroles,0.595,Substituted pyrroles,0.595,Organoheterocyclic compounds,0.993,,,,C30H34N4O4,514.2568,Cytochalasan alkaloids,0.02,Alkaloids,0.567,Tryptophan alkaloids,0.209,C30H33N4O3+,644.28,2001
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.963,Amino acids and derivatives,0.731,Alpha amino acids and derivatives,0.516,"Amino acids, peptides, and analogues",0.748,Organic acids and derivatives,0.992,,,,C27H36N6O8,572.2588,Cyclic peptides,0.101,Amino acids and Peptides,0.866,Oligopeptides,0.623,C27H37N6O8+,643.58,2003
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.916,N-acyl-alpha amino acids and derivatives,0.756,"Amino acids, peptides, and analogues",0.921,Organic acids and derivatives,1,,,,C23H38N2O9,486.2593,Dipeptides,0.045,Amino acids and Peptides,0.675,Small peptides,0.181,C23H39N2O9+,643.35,2007
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.965,Amino acids and derivatives,0.776,Alpha amino acids and derivatives,0.516,"Amino acids, peptides, and analogues",0.795,Organic acids and derivatives,0.99,,,,C24H34N6O5,486.2588,Cyclic peptides,0.076,Amino acids and Peptides,0.943,Oligopeptides,0.515,C24H35N6O5+,643.35,2008
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Imidazoles; Alcohols and polyols; Thiolanes; Biotin and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Hydroxy fatty acids; Azoles; Monoalkylamines; Ureas; Monocarboxylic acids and derivatives; Thioethers; Carboxylic acids; Thia fatty acids; Thienoimidazolidines; Secondary alcohols; Carbonyl compounds; Substituted imidazoles; Amines; Primary amines; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Biotin and derivatives,0.649,,,Biotin and derivatives,0.649,,,Organoheterocyclic compounds,0.968,,,,C19H42N6O5S,466.2918,Purine nucleosides,0.472,Carbohydrates,0.718,Oligopeptides,0.272,C19H39N6O3S+,646.5,2011
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Carboxylic acids and derivatives,0.964,,,Dicarboxylic acids and derivatives,0.512,Dicarboxylic acids and derivatives,0.512,Organic acids and derivatives,0.983,,,,C26H42O7,466.2927,Open-chain polyketides,0.121,Terpenoids,0.658,Diterpenoids,0.075,C26H42NaO7+,646.85,2012
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Trialkylamines; Amines; Tertiary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.723,N-acyl amines,0.634,N-acyl amines,0.634,Fatty amides,0.648,Lipids and lipid-like molecules,0.84,,,,C28H47NO7,509.3349,Open-chain polyketides,0.623,Amino acids and Peptides,0.331,Linear polyketides,0.622,C28H46NO6+,646.85,2014
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; 1,2-aminoalcohols; Benzene and substituted derivatives; Polyols; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.956,Amino acids and derivatives,0.652,Amino acids and derivatives,0.652,"Amino acids, peptides, and analogues",0.659,Organic acids and derivatives,0.982,,,,C30H52N2O9,584.3662,Open-chain polyketides,0.515,Polyketides,0.409,Macrolides,0.342,C30H53N2O9+,646.9,2015
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.656,,,Prenol lipids,0.656,,,Lipids and lipid-like molecules,0.822,,,,C26H36O4,412.2605,Open-chain polyketides,0.047,Terpenoids,0.802,Triterpenoids,0.235,C26H37O4+,646.87,2016
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.834,Oligopeptides,0.513,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.999,,,,C46H72N12O10,952.5483,Cyclic peptides,0.72,Amino acids and Peptides,0.985,Oligopeptides,0.99,C46H73N12O10+,646.73,2018
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenols; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.834,Oligopeptides,0.624,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,0.999,,,,C50H78N6O12,954.5625,Cyclic peptides,0.706,Amino acids and Peptides,0.921,Oligopeptides,0.995,C50H79N6O12+,646.45,2020
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.957,N-acyl-alpha amino acids,0.815,"Amino acids, peptides, and analogues",0.959,Organic acids and derivatives,1,,,,C23H40N2O8,472.28,Dipeptides,0.24,Amino acids and Peptides,0.799,Small peptides,0.228,C23H41N2O8+,646.49,2024
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Benzene and substituted derivatives; Substituted imidazoles; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.783,Amino acids and derivatives,0.5,Amino acids and derivatives,0.5,"Amino acids, peptides, and analogues",0.507,Organic acids and derivatives,0.785,,,,C24H32N6O4,468.249,Dipeptides,0.034,Amino acids and Peptides,0.605,Small peptides,0.262,C24H33N6O4+,648.05,2025
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.762,Alpha amino acids and derivatives,0.653,"Amino acids, peptides, and analogues",0.777,Organic acids and derivatives,0.99,,,,C26H36N6O5,512.2734,Cyclic peptides,0.181,Amino acids and Peptides,0.931,Oligopeptides,0.734,C26H37N6O5+,649.17,2029
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.967,Peptides,0.714,Oligopeptides,0.602,"Amino acids, peptides, and analogues",0.823,Organic acids and derivatives,0.988,,,,C27H36N6O8,572.259,Tripeptides,0.43,Amino acids and Peptides,0.985,Oligopeptides,0.568,C27H37N6O8+,649.39,2030
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dialkyl ethers; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.533,,,Prenol lipids,0.533,,,Lipids and lipid-like molecules,0.765,,,,C26H38O6,446.2667,Open-chain polyketides,0.277,Polyketides,0.691,Linear polyketides,0.183,C26H39O6+,650.09,2031
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.539,,,Fatty Acyls,0.539,,,Lipids and lipid-like molecules,0.9,,,,C25H36O3,384.2664,Open-chain polyketides,0.108,Terpenoids,0.263,Docosanoids,0.288,C25H37O3+,649.97,2032
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.577,Peptides,0.577,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.997,,,,C45H64N10O6,840.4994,Cyclic peptides,0.449,Amino acids and Peptides,0.954,Oligopeptides,0.968,C45H65N10O6+,649.34,2036
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carbonyl compounds; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.844,Amino acids and derivatives,0.689,Amino acids and derivatives,0.689,"Amino acids, peptides, and analogues",0.698,Organic acids and derivatives,0.871,,,,C20H28N6O4,416.2176,Dipeptides,0.068,Amino acids and Peptides,0.407,Small peptides,0.278,C20H29N6O4+,649.39,2038
[M + H]+,Organic compounds; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,,,,,Benzenoids,0.995,,,Benzenoids,0.995,,,,C14H10,178.0778,Anthraquinones and anthrones,0.098,Polyketides,0.125,Fatty acyls,0.06,C14H11+,649.96,2039
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.761,Peptides,0.761,"Amino acids, peptides, and analogues",0.984,Organic acids and derivatives,1,,,,C24H34N6O5,486.2596,Tripeptides,0.408,Amino acids and Peptides,0.997,Oligopeptides,0.833,C24H33N6O4+,650.1,2042
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Imidazopyrimidines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Imidazopyrimidines,0.528,6-aminopurines,0.748,6-alkylaminopurines,0.534,Purines and purine derivatives,0.587,Organoheterocyclic compounds,0.998,,,,C24H34N6O4,470.2642,Purine alkaloids,0.388,Alkaloids,0.83,Pseudoalkaloids (transamidation),0.585,C24H35N6O4+,650.8,2044
,,,,,,,,,,,,,,,,948.4906,,,,,,,,650.33,2045
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.595,Aminopyrimidines and derivatives,0.55,Aminopyrimidines and derivatives,0.55,Pyrimidines and pyrimidine derivatives,0.514,Organoheterocyclic compounds,0.995,,,,C18H26N6O3,374.2073,Purine alkaloids,0.092,Alkaloids,0.685,Pseudoalkaloids (transamidation),0.272,C18H27N6O3+,650.45,2046
,,,,,,,,,,,,,,,,966.5001,,,,,,,,650.1,2048
[M + H]+,Organic compounds; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,,,,,Benzenoids,0.996,,,Benzenoids,0.996,,,,C14H9,177.0706,Anthraquinones and anthrones,0.046,Polyketides,0.089,Fatty acyls,0.028,C14H10+,650.55,2049
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.667,Peptides,0.667,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.998,,,,C45H62N10O6,838.4822,Cyclic peptides,0.239,Amino acids and Peptides,0.981,Oligopeptides,0.962,C45H63N10O6+,651.26,2053
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.514,,,Prenol lipids,0.514,,,Lipids and lipid-like molecules,0.839,,,,C26H40O7,464.2776,Open-chain polyketides,0.877,Polyketides,0.941,Linear polyketides,0.699,C26H37O5+,650.1,2055
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.67,,,Fatty Acyls,0.67,,,Lipids and lipid-like molecules,0.812,,,,C26H40O7,464.2772,Open-chain polyketides,0.842,Polyketides,0.951,Linear polyketides,0.725,C26H40NaO7+,651.03,2056
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Tetrazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.961,Amino acids and derivatives,0.773,Alpha amino acids and derivatives,0.591,"Amino acids, peptides, and analogues",0.782,Organic acids and derivatives,0.984,,,,C24H32N6O5,484.2437,Cyclic peptides,0.086,Amino acids and Peptides,0.837,Oligopeptides,0.742,C24H33N6O5+,651.71,2058
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.658,,,Prenol lipids,0.658,,,Lipids and lipid-like molecules,0.858,,,,C26H36O5,428.2564,Open-chain polyketides,0.194,Terpenoids,0.566,Triterpenoids,0.145,C26H35O4+,650.13,2059
,,,,,,,,,,,,,,,,1430.776,,,,,,,,650.78,2060
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.83,Peptides,0.83,"Amino acids, peptides, and analogues",0.982,Organic acids and derivatives,0.999,,,,C24H36N6O5,488.2743,Tripeptides,0.78,Amino acids and Peptides,0.998,Oligopeptides,0.883,C24H37N6O5+,652.43,2062
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Hexoses; Monosaccharides; Secondary alcohols; Oxanes; Glycosyl compounds; Glycosylamines; O-glycosyl compounds; Polyols; Benzenoids; Amines; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.997,Monosaccharides,0.979,Hexoses,0.865,Carbohydrates and carbohydrate conjugates,0.993,Organic oxygen compounds,0.998,,,,C30H44N6O9,632.3158,Purine alkaloids,0.446,Alkaloids,0.679,Pseudoalkaloids (transamidation),0.501,C30H45N6O9+,650.79,2064
[M + H]+,Organic compounds; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,,,,,Benzenoids,0.997,,,Benzenoids,0.997,,,,C16H14,206.1095,Anthraquinones and anthrones,0.011,Terpenoids,0.299,Sesquiterpenoids,0.051,C16H15+,650.88,2066
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.904,Amino acids and derivatives,0.645,Amino acids and derivatives,0.645,"Amino acids, peptides, and analogues",0.663,Organic acids and derivatives,0.932,,,,C23H34N6O4,458.2644,Tripeptides,0.04,Amino acids and Peptides,0.699,Small peptides,0.215,C23H35N6O4+,652.77,2069
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.784,N-acyl amines,0.501,N-acyl amines,0.501,Fatty amides,0.671,Lipids and lipid-like molecules,0.843,,,,C33H48N2O12,664.3206,Open-chain polyketides,0.327,Polyketides,0.297,Linear polyketides,0.567,C33H49N2O12+,652.54,2070
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.574,,,Benzene and substituted derivatives,0.574,,,Benzenoids,0.68,,,,C26H34N6O5,510.259,Purine nucleosides,0.049,Amino acids and Peptides,0.636,Oligopeptides,0.194,C26H35N6O5+,653.24,2073
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.627,,,Lipids and lipid-like molecules,0.627,,,,C26H38O7,462.2617,Eremophilane sesquiterpenoids,0.073,Terpenoids,0.56,Diterpenoids,0.156,C26H38NaO7+,655.08,2075
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.667,,,Prenol lipids,0.667,,,Lipids and lipid-like molecules,0.917,,,,C26H38O7,462.2614,Open-chain polyketides,0.579,Polyketides,0.622,Linear polyketides,0.405,C26H38NaO7+,655.2,2077
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Carbonyl compounds; 3-oxosteroids; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.743,3-oxosteroids,0.733,3-oxosteroids,0.733,Oxosteroids,0.731,Lipids and lipid-like molecules,0.918,,,,C26H32O4,408.23,Androstane steroids,0.092,Terpenoids,0.96,Steroids,0.4,C26H33O4+,655.08,2081
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.985,Peptides,0.679,Peptides,0.679,"Amino acids, peptides, and analogues",0.974,Organic acids and derivatives,0.993,,,,C19H38N8O7,490.2886,Linear peptides,0.807,Amino acids and Peptides,0.904,Oligopeptides,0.874,C19H39N8O7+,655.54,2082
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.53,,,Benzenoids,0.53,,,,C56H72N2O11,948.5172,Polyene macrolides,0.364,Polyketides,0.292,Macrolides,0.826,C56H73N2O11+,654.97,2085
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.709,N-acyl-alpha amino acids and derivatives,0.553,"Amino acids, peptides, and analogues",0.717,Organic acids and derivatives,0.998,,,,C26H38N2O11,554.2487,Open-chain polyketides,0.038,Amino acids and Peptides,0.915,Macrolides,0.309,C26H39N2O11+,654.16,2086
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.595,Alpha amino acids and derivatives,0.545,"Amino acids, peptides, and analogues",0.603,Organic acids and derivatives,0.995,,,,C23H37N5O8,511.2624,Cyclic peptides,0.104,Amino acids and Peptides,0.94,Linear polyketides,0.328,C23H38N5O8+,653.3,2087
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Hexoses; Monosaccharides; Secondary alcohols; Imidazopyrimidines; Oxanes; Glycosyl compounds; Glycosylamines; O-glycosyl compounds; Polyols; Benzenoids; Amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.99,Monosaccharides,0.935,Hexoses,0.649,Carbohydrates and carbohydrate conjugates,0.99,Organic oxygen compounds,0.997,,,,C25H42N8O11,630.3004,Purine alkaloids,0.877,Amino acids and Peptides,0.561,Pseudoalkaloids (transamidation),0.581,C25H43N8O11+,656.08,2089
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.938,N-acyl-alpha amino acids and derivatives,0.649,"Amino acids, peptides, and analogues",0.947,Organic acids and derivatives,0.997,,,,C24H34N6O5,486.259,Tripeptides,0.085,Amino acids and Peptides,0.97,Oligopeptides,0.823,C24H35N6O5+,657.37,2093
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.92,N-acyl-alpha amino acids,0.579,"Amino acids, peptides, and analogues",0.924,Organic acids and derivatives,1,,,,C23H38N2O9,486.2587,Open-chain polyketides,0.079,Amino acids and Peptides,0.75,Small peptides,0.133,C23H39N2O9+,657.5,2096
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Imidazoles; Tetrazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.749,Amino acids and derivatives,0.529,Amino acids and derivatives,0.529,"Amino acids, peptides, and analogues",0.539,Organic acids and derivatives,0.795,,,,C24H34N6O5,486.2593,Dipeptides,0.051,Amino acids and Peptides,0.62,Oligopeptides,0.288,C24H35N6O5+,657.85,2098
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Unsaturated fatty acids; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.661,Hydroxy fatty acids,0.6,Hydroxy fatty acids,0.6,Fatty acids and conjugates,0.542,Lipids and lipid-like molecules,0.918,,,,C26H40O7,464.277,Open-chain polyketides,0.765,Polyketides,0.59,Linear polyketides,0.514,C26H37O5+,657.71,2099
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.533,,,Benzenoids,0.533,,,,C24H32N3O3,410.2458,Open-chain polyketides,0.056,Amino acids and Peptides,0.539,Tryptophan alkaloids,0.18,C24H33N3O3+,657.73,2100
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Organooxygen compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.572,,,Benzenoids,0.572,,,,C24H30N3O2,392.2351,Open-chain polyketides,0.108,Alkaloids,0.622,Pseudoalkaloids (transamidation),0.302,C24H31N3O2+,657.27,2101
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.936,Amino acids and derivatives,0.543,Amino acids and derivatives,0.543,"Amino acids, peptides, and analogues",0.561,Organic acids and derivatives,0.967,,,,C24H36N6O5,488.2745,Cyclamides,0.09,Amino acids and Peptides,0.859,Oligopeptides,0.499,C24H37N6O5+,657.15,2109
,,,,,,,,,,,,,,,,1430.7756,,,,,,,,657.66,2110
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Hexoses; Monosaccharides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; Glycosylamines; Benzene and substituted derivatives; Polyols; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.642,Amino acids and derivatives,0.662,Alpha amino acids and derivatives,0.703,"Amino acids, peptides, and analogues",0.68,Organic acids and derivatives,0.686,,,,C30H46N6O9,634.3303,Purine nucleosides,0.177,Amino acids and Peptides,0.883,Oligopeptides,0.686,C30H47N6O9+,657.39,2111
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Trialkylamines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.656,,,"Amino acids, peptides, and analogues",0.505,"Amino acids, peptides, and analogues",0.505,Organic acids and derivatives,0.786,,,,C18H26N6O3,374.2078,Purine alkaloids,0.06,Amino acids and Peptides,0.751,Small peptides,0.145,C18H27N6O3+,657.61,2112
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.643,Cyclic depsipeptides,0.706,Cyclic depsipeptides,0.706,Depsipeptides,0.671,Organic acids and derivatives,1,,,,C44H66N6O10,838.4827,Depsipeptides,0.44,Amino acids and Peptides,0.725,Oligopeptides,0.992,C44H67N6O10+,658.01,2113
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.692,,,Lipids and lipid-like molecules,0.692,,,,C26H40O6,448.2824,Open-chain polyketides,0.491,Polyketides,0.829,Linear polyketides,0.551,C26H40NaO6+,659.94,2120
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Diazines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.853,Amino acids and derivatives,0.789,Alpha amino acid amides,0.534,"Amino acids, peptides, and analogues",0.812,Organic acids and derivatives,0.89,,,,C24H36N6O6,504.2692,Linear peptides,0.183,Amino acids and Peptides,0.93,Oligopeptides,0.854,C24H37N6O6+,659.76,2122
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.504,,,Fatty Acyls,0.504,,,Lipids and lipid-like molecules,0.728,,,,C56H74N2O10,934.5386,Polyene macrolides,0.448,Polyketides,0.238,Macrolides,0.893,C56H75N2O10+,660.06,2123
,,,,,,,,,,,,,,,,507.3194,,,,,,,,659.35,2124
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.895,Amino acids and derivatives,0.747,Amino acids and derivatives,0.747,"Amino acids, peptides, and analogues",0.761,Organic acids and derivatives,0.959,,,,C20H28N6O4,416.2176,Cyclic peptides,0.064,Amino acids and Peptides,0.848,Small peptides,0.407,C20H29N6O4+,659,2127
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Triazines; Organonitrogen compounds; Organooxygen compounds; Thioethers; Aminotriazines; Amines; N-aliphatic s-triazines; Sulfenyl compounds; 1,3,5-triazines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Alkoxy-S-triazines; Organic nitrogen compounds; 1,3,5-triazine-2,4-diamines; Chemical entities",Triazines,0.981,Alkoxy-S-triazines,0.702,Alkoxy-S-triazines,0.702,"1,3,5-triazines",0.989,Organoheterocyclic compounds,0.983,,,,C11H28N12OS,376.2228,Imidazole alkaloids,0.168,Alkaloids,0.677,Histidine alkaloids,0.164,C11H29N12OS+,658.98,2130
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Pyrans; Ketones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Oxosteroids; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Oxanes; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.747,,,Hydroxysteroids,0.599,Hydroxysteroids,0.599,Lipids and lipid-like molecules,0.887,,,,C29H40O9,532.267,Ergostane steroids,0.165,Terpenoids,0.885,Triterpenoids,0.581,C29H40NaO9+,662.41,2131
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Trialkylamines; Amines; Tertiary amines; N-alkylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.633,Amino acids and derivatives,0.633,"Amino acids, peptides, and analogues",0.639,Organic acids and derivatives,0.991,,,,C28H47NO8,525.3297,Pyrrolizidine alkaloids,0.213,Alkaloids,0.778,Ornithine alkaloids,0.614,C28H48NO8+,663.1,2132
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Carboxylic acids and derivatives,0.943,,,Dicarboxylic acids and derivatives,0.512,Dicarboxylic acids and derivatives,0.512,Organic acids and derivatives,0.977,,,,C28H36O7,484.2437,Quassinoids,0.161,Terpenoids,0.604,Triterpenoids,0.328,C28H37O7+,662.16,2135
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Anisoles; Ethers; Organooxygen compounds; Phenol ethers; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Phenol ethers,0.679,,,Anisoles,0.675,Anisoles,0.675,Benzenoids,0.99,,,,C15H16O3,244.1097,Kavalactones and derivatives,0.285,Shikimates and Phenylpropanoids,0.878,Styrylpyrones,0.278,C15H17O3+,662.05,2137
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Tetrazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.679,Peptides,0.679,"Amino acids, peptides, and analogues",0.986,Organic acids and derivatives,0.997,,,,C27H36N6O7,556.2622,Linear peptides,0.398,Amino acids and Peptides,0.989,Oligopeptides,0.967,C27H37N6O7+,661.97,2138
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.591,,,Prenol lipids,0.591,,,Lipids and lipid-like molecules,0.846,"""methyl (4R)-4-((3R,5S,7R,9S,10S,13R,17R)-7-acetoxy-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate""","""InChI=1S/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22?,25+,26+,27-/m1/s1""",[H][C@@]1([C@]2([C@@]3(C)[C@@H]([C@@H](CCC(OC)=O)C)CC2)[H])[C@H](OC(C)=O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]1CC3=O,C26H40O7,464.2774,Open-chain polyketides,0.547,Polyketides,0.668,Linear polyketides,0.333,C26H40NaO7+,663.56,2140
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.521,,,Hydroxysteroids,0.508,Hydroxysteroids,0.508,Lipids and lipid-like molecules,0.861,,,,C26H40O7,464.2776,Open-chain polyketides,0.2,Terpenoids,0.362,Triterpenoids,0.348,C26H37O5+,664.02,2142
[M + K]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.935,Amino acids and derivatives,0.603,Amino acids and derivatives,0.603,"Amino acids, peptides, and analogues",0.618,Organic acids and derivatives,0.968,,,,C27H36N4O3,464.2772,Cyclic peptides,0.023,Amino acids and Peptides,0.764,Oligopeptides,0.095,C27H36KN4O3+,664.14,2143
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Hydroxy acids and derivatives,0.568,,,Hydroxy acids and derivatives,0.568,,,Organic acids and derivatives,0.989,,,,C26H40O7,464.277,Open-chain polyketides,0.232,Terpenoids,0.726,Triterpenoids,0.185,C26H40NaO7+,664.14,2145
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.539,,,Prenol lipids,0.539,,,Lipids and lipid-like molecules,0.696,,,,C20H26O6,362.1731,Quassinoids,0.249,Terpenoids,0.897,Diterpenoids,0.469,C20H26NaO6+,664.24,2146
,,,,,,,,,,,,,,,,966.5007,,,,,,,,664.25,2151
,,,,,,,,,,,,,,,,1430.776,,,,,,,,664.37,2154
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.592,,,Heteroaromatic compounds,0.592,,,Organoheterocyclic compounds,0.72,,,,C23H34N3O3,400.2614,Dipeptides,0.024,Alkaloids,0.345,Small peptides,0.09,C23H35N3O3+,665.46,2155
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Diazines; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.603,,,Pyrimidines and pyrimidine derivatives,0.566,Pyrimidines and pyrimidine derivatives,0.566,Organoheterocyclic compounds,0.976,,,,C22H32N6O4,444.2505,Open-chain polyketides,0.029,Alkaloids,0.462,Linear polyketides,0.102,C22H33N6O4+,664.74,2156
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrans; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carbonyl compounds; Cyclic ketones; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Ketones,0.839,Cyclohexenones,0.617,Carbonyl compounds,0.943,Organic oxygen compounds,1,,,,C26H34O5,426.2405,Azaphilones,0.072,Terpenoids,0.357,Triterpenoids,0.232,C26H35O5+,663.85,2157
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.967,Amino acids and derivatives,0.877,Alpha amino acids and derivatives,0.771,"Amino acids, peptides, and analogues",0.892,Organic acids and derivatives,0.991,,,,C22H36N6O6,480.2684,Cyclic peptides,0.326,Amino acids and Peptides,0.738,Oligopeptides,0.633,C22H37N6O6+,667.33,2160
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.613,,,Fatty Acyls,0.613,,,Lipids and lipid-like molecules,0.639,,,,C28H47NO6,493.3403,Open-chain polyketides,0.326,Fatty acids,0.658,Linear polyketides,0.64,C28H48NO6+,666.94,2162
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.632,,,Benzenoids,0.632,,,,C26H34N6O5,510.2591,Pyrroloquinoline alkaloids,0.062,Alkaloids,0.601,Tryptophan alkaloids,0.21,C26H35N6O5+,667.28,2163
,,,,,,,,,,,,,,,,418.2696,,,,,,,,666.8,2164
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.89,Oligopeptides,0.617,"Amino acids, peptides, and analogues",0.997,Organic acids and derivatives,0.999,,,,C43H75N11O13,953.5508,Cyclic peptides,0.478,Amino acids and Peptides,0.995,Oligopeptides,0.998,C43H76N11O13+,667.49,2166
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Cyclic alcohols and derivatives; Hydroxysteroids; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.674,,,Hydroxysteroids,0.522,Hydroxysteroids,0.522,Lipids and lipid-like molecules,0.933,,,,C32H48O11,608.3205,Ergostane steroids,0.118,Terpenoids,0.896,Steroids,0.38,C32H48NaO11+,669.24,2167
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Cyclic alcohols and derivatives; Hydroxysteroids; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.681,,,Hydroxysteroids,0.515,Hydroxysteroids,0.515,Lipids and lipid-like molecules,0.96,,,,C32H48O11,608.3186,Ergostane steroids,0.088,Terpenoids,0.945,Steroids,0.359,C32H48NaO11+,669.24,2168
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.586,,,Lipids and lipid-like molecules,0.586,,,,C26H34O4,410.2458,Open-chain polyketides,0.082,Polyketides,0.46,Linear polyketides,0.126,C26H35O4+,669.3,2170
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.748,Peptides,0.748,"Amino acids, peptides, and analogues",0.982,Organic acids and derivatives,0.999,,,,C27H36N6O7,556.2625,Linear peptides,0.167,Amino acids and Peptides,0.995,Oligopeptides,0.913,C27H37N6O7+,669.93,2171
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Thioethers; Diazines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.904,Amino acids and derivatives,0.844,N-acyl-alpha amino acids and derivatives,0.513,"Amino acids, peptides, and analogues",0.867,Organic acids and derivatives,0.969,,,,C19H34N12O5S,542.249,Cyclamides,0.535,Amino acids and Peptides,0.977,Oligopeptides,0.993,C19H35N12O5S+,670.79,2172
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.811,Aminopyrimidines and derivatives,0.753,Aminopyrimidines and derivatives,0.753,Pyrimidines and pyrimidine derivatives,0.746,Organoheterocyclic compounds,0.994,,,,C23H32N6O4,456.2489,Purine alkaloids,0.074,Alkaloids,0.611,Pseudoalkaloids (transamidation),0.202,C23H33N6O4+,668.89,2174
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Diazines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; 6-aminopurines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Imidazopyrimidines,0.41,6-aminopurines,0.523,6-aminopurines,0.523,Purines and purine derivatives,0.445,Organoheterocyclic compounds,0.994,,,,C24H34N6O4,470.2642,Purine alkaloids,0.123,Amino acids and Peptides,0.284,Pseudoalkaloids (transamidation),0.336,C24H35N6O4+,668.44,2178
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.732,Peptides,0.732,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.999,,,,C44H66N6O10,838.482,Cyclic peptides,0.698,Amino acids and Peptides,0.913,Oligopeptides,0.993,C44H67N6O10+,670.4,2181
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.843,Peptides,0.843,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H70N12O9,934.5388,Cyclic peptides,0.439,Amino acids and Peptides,0.984,Oligopeptides,0.999,C46H71N12O9+,668.34,2182
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Amines; Aralkylamines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.817,Amino acids and derivatives,0.632,Amino acids and derivatives,0.632,"Amino acids, peptides, and analogues",0.635,Organic acids and derivatives,0.851,,,,C33H50N3O4,552.3779,Aspidosperma type,0.045,Alkaloids,0.688,Tryptophan alkaloids,0.358,C33H51N3O4+,667.98,2183
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.956,,,Benzene and substituted derivatives,0.956,,,Benzenoids,0.974,,,,C24H32N6O5,484.2438,Dipeptides,0.027,Amino acids and Peptides,0.701,Small peptides,0.177,C24H33N6O5+,667.86,2184
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.702,Peptides,0.702,"Amino acids, peptides, and analogues",0.985,Organic acids and derivatives,0.998,,,,C24H36N6O6,504.2694,Tripeptides,0.728,Amino acids and Peptides,0.993,Small peptides,0.883,C24H37N6O6+,667.96,2185
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Trialkylamines; Amines; Tertiary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.916,Amino acids and derivatives,0.606,Amino acids and derivatives,0.606,"Amino acids, peptides, and analogues",0.611,Organic acids and derivatives,0.921,,,,C28H47NO6,493.3403,Pyrrolizidine alkaloids,0.163,Alkaloids,0.884,Ornithine alkaloids,0.592,C28H48NO6+,671.56,2188
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.552,Peptides,0.552,"Amino acids, peptides, and analogues",0.952,Organic acids and derivatives,0.999,,,,C26H45N4O6,509.3352,Linear peptides,0.281,Amino acids and Peptides,0.969,Oligopeptides,0.95,C26H46N4O6+,673.08,2194
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.829,,,Steroidal glycosides,0.523,Steroidal glycosides,0.523,Lipids and lipid-like molecules,0.983,,,,C32H52O11,612.3506,Oleanane triterpenoids,0.083,Terpenoids,0.97,Steroids,0.567,C32H52NaO11+,671.91,2195
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alkyl aryl ethers; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Phenol ethers; Benzenoids; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Phenol ethers,0.557,,,Phenol ethers,0.557,,,Benzenoids,0.841,,,,C22H30N6O5,458.2267,Purine nucleosides,0.248,Alkaloids,0.351,Nucleosides,0.226,C22H31N6O5+,672.96,2200
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organophosphorus compounds; Organic phosphonic acids and derivatives; Azoles; Phosphonic acid esters; Aminopyrimidines and derivatives; Organic phosphonic acids; Diazines; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.544,Aminopyrimidines and derivatives,0.587,Aminopyrimidines and derivatives,0.587,Pyrimidines and pyrimidine derivatives,0.52,Organoheterocyclic compounds,0.935,,,,C20H39N4O3P,414.2765,Imidazole alkaloids,0.103,Alkaloids,0.408,Pseudoalkaloids (transamidation),0.229,C20H40N4O3P+,672.69,2201
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.579,,,Fatty Acyls,0.579,,,Lipids and lipid-like molecules,0.822,,,,C26H40O7,464.2774,Open-chain polyketides,0.88,Polyketides,0.853,Linear polyketides,0.686,C26H37O5+,673.55,2209
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Thiolanes; Biotin and derivatives; Imidazolidines; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Organic carbonic acids and derivatives; Monoalkylamines; Carboxylic acid amides; Ureas; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Imidazolidinones; Thioethers; Carboxylic acids; Thia fatty acids; Thienoimidazolidines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Heterocyclic fatty acids; Alpha amino acid amides; Amines; Primary amines; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Biotin and derivatives,0.886,,,Biotin and derivatives,0.886,,,Organoheterocyclic compounds,0.786,,,,C19H40N6O5S,464.2772,Imidazole alkaloids,0.198,Amino acids and Peptides,0.752,Oligopeptides,0.616,C19H39N6O4S+,675.88,2210
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Dialkyl ethers; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.54,,,Fatty Acyls,0.54,,,Lipids and lipid-like molecules,0.637,"""methyl (4R)-4-((3R,5S,7R,9S,10S,13R,17R)-7-acetoxy-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate""","""InChI=1S/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22?,25+,26+,27-/m1/s1""",[H][C@@]1([C@]2([C@@]3(C)[C@@H]([C@@H](CCC(OC)=O)C)CC2)[H])[C@H](OC(C)=O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]1CC3=O,C26H40O7,464.2777,Open-chain polyketides,0.925,Polyketides,0.985,Linear polyketides,0.868,C26H40NaO7+,675.07,2211
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.69,,,Fatty Acyls,0.69,,,Lipids and lipid-like molecules,0.792,,,,C26H40O7,464.277,Open-chain polyketides,0.908,Polyketides,0.974,Linear polyketides,0.816,C26H40NaO7+,674.59,2212
[M + K]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Carbohydrates and carbohydrate conjugates; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organic acids and derivatives; Organonitrogen compounds; Nucleosides, nucleotides, and analogues; Organooxygen compounds; Amino acids and derivatives; Azoles; Thioethers; Aminopyrimidines and derivatives; Diazines; Pentoses; Monosaccharides; Secondary alcohols; Imidazopyrimidines; Carbonyl compounds; Glycosyl compounds; Glycosylamines; Polyols; Substituted imidazoles; N-substituted imidazoles; Amines; Primary amines; 1,2-diols; 6-aminopurines; Sulfenyl compounds; Dialkylthioethers; Imidolactams; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",5'-deoxyribonucleosides,0.849,,,5'-deoxy-5'-thionucleosides,0.821,5'-deoxy-5'-thionucleosides,0.821,"Nucleosides, nucleotides, and analogues",0.784,,,,C19H40N6O5S,464.2779,Purine nucleosides,0.907,Carbohydrates,0.975,Nucleosides,0.965,C19H40KN6O5S+,675.42,2214
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary alcohols; Carbonyl compounds; Polyols; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.697,Alpha amino acids and derivatives,0.734,"Amino acids, peptides, and analogues",0.697,Organic acids and derivatives,0.997,,,,C26H38N2O11,554.2489,Cytochalasan alkaloids,0.027,Alkaloids,0.47,Pseudoalkaloids (transamidation),0.498,C26H39N2O11+,674.25,2215
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.601,Dialkylarylamines,0.644,Amines,0.915,Organic nitrogen compounds,1,,,,C24H34N6O4,470.2644,Cyclamides,0.056,Amino acids and Peptides,0.656,Oligopeptides,0.217,C24H35N6O4+,675.3,2216
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Hydroxamic acids; Monoalkylamines; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.658,Peptides,0.658,"Amino acids, peptides, and analogues",0.944,Organic acids and derivatives,0.999,,,,C21H37N5O8,487.263,Linear peptides,0.643,Amino acids and Peptides,0.846,Oligopeptides,0.589,C21H38N5O8+,675.03,2218
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; N-acylpyrrolidines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.958,Oligopeptides,0.604,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H70N12O9,934.539,Cyclic peptides,0.637,Amino acids and Peptides,0.994,Oligopeptides,0.996,C46H71N12O9+,675.65,2219
,,,,,,,,,,,,,,,,550.3836,,,,,,,,674.7,2223
,,,,,,,,,,,,,,,,966.5003,,,,,,,,674.4,2224
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Pyrans; Ketones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.779,,,Hydroxysteroids,0.533,Hydroxysteroids,0.533,Lipids and lipid-like molecules,0.856,,,,C26H32O7,456.2128,Ergostane steroids,0.239,Terpenoids,0.917,Triterpenoids,0.471,C26H33O7+,674.95,2225
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Diazines; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.911,Amino acids and derivatives,0.759,Carbamate esters,0.614,"Amino acids, peptides, and analogues",0.769,Organic acids and derivatives,0.968,,,,C24H34N6O4,470.2645,Dipeptides,0.043,Amino acids and Peptides,0.622,Small peptides,0.183,C24H35N6O4+,675.99,2227
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.97,Amino acids and derivatives,0.578,Amino acids and derivatives,0.578,"Amino acids, peptides, and analogues",0.579,Organic acids and derivatives,0.989,,,,C24H32N3O3,410.2458,Open-chain polyketides,0.148,Amino acids and Peptides,0.374,Tryptophan alkaloids,0.222,C24H33N3O3+,678.75,2229
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.891,Amino acids and derivatives,0.775,Carbamate esters,0.712,"Amino acids, peptides, and analogues",0.778,Organic acids and derivatives,0.931,,,,C24H32N6O4,468.2489,Purine alkaloids,0.025,Alkaloids,0.528,Small peptides,0.029,C24H33N6O4+,678.96,2230
,,,,,,,,,,,,,,,,1430.7778,,,,,,,,678.87,2232
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Alkanolamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.784,Dialkylarylamines,0.804,Amines,0.96,Organic nitrogen compounds,1,,,,C23H36N6O4,460.2801,Cyclamides,0.01,Alkaloids,0.251,Pseudoalkaloids (transamidation),0.031,C23H37N6O4+,676.28,2233
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.812,N-acyl-alpha amino acids and derivatives,0.637,"Amino acids, peptides, and analogues",0.817,Organic acids and derivatives,0.999,,,,C25H38N2O11,542.2489,Open-chain polyketides,0.049,Amino acids and Peptides,0.781,Macrolides,0.119,C25H39N2O11+,677.28,2235
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Trialkylamines; Benzenoids; Amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.671,,,Benzenoids,0.671,,,,C28H43NO6,489.3092,Isoquinoline alkaloids,0.234,Alkaloids,0.568,Tyrosine alkaloids,0.764,C28H44NO6+,677.4,2237
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.526,,,Steroids and steroid derivatives,0.526,,,Lipids and lipid-like molecules,0.963,,,,C32H50O11,610.3351,Ergostane steroids,0.087,Terpenoids,0.919,Triterpenoids,0.334,C32H50NaO11+,680.39,2240
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carbonyl compounds; 3-oxosteroids; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.835,3-oxosteroids,0.595,3-oxosteroids,0.595,Oxosteroids,0.77,Lipids and lipid-like molecules,0.895,,,,C23H30O4,370.2143,Pregnane steroids,0.263,Terpenoids,0.956,Steroids,0.563,C23H29O3+,679.65,2243
[M + H]+,Organic compounds; Organoheterocyclic compounds; Thiazoles; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.894,,,Thiazoles,0.781,Thiazoles,0.781,Organoheterocyclic compounds,0.988,,,,C25H35N5O3S,485.2471,Open-chain polyketides,0.218,Amino acids and Peptides,0.44,Linear polyketides,0.475,C25H36N5O3S+,681.39,2244
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Monoalkylamines; Diazines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.668,,,Benzene and substituted derivatives,0.668,,,Benzenoids,0.835,,,,C22H38N6O3,434.301,Dipeptides,0.099,Amino acids and Peptides,0.805,Oligopeptides,0.311,C22H39N6O3+,678.83,2246
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Monoalkylamines; Aminopyrimidines and derivatives; Diazines; Imidazopyrimidines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.522,Amino acids and derivatives,0.586,Amino acids and derivatives,0.586,"Amino acids, peptides, and analogues",0.595,Organic acids and derivatives,0.501,,,,C23H34N6O4,458.2645,Purine alkaloids,0.319,Alkaloids,0.308,Pseudoalkaloids (transamidation),0.273,C23H35N6O4+,681.34,2247
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Monoalkylamines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Organic 1,3-dipolar compounds; Aralkylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.788,Amino acids and derivatives,0.797,Amino acids and derivatives,0.797,"Amino acids, peptides, and analogues",0.81,Organic acids and derivatives,0.853,,,,C22H28N6O5,456.2128,Dipeptides,0.072,Amino acids and Peptides,0.956,Small peptides,0.638,C22H29N6O5+,681.34,2248
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Cyclic ketones; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Ketones,0.855,Cyclohexenones,0.626,Carbonyl compounds,0.957,Organic oxygen compounds,1,,,,C28H36O7,484.2439,Eremophilane sesquiterpenoids,0.171,Terpenoids,0.444,Triterpenoids,0.351,C28H37O7+,679.31,2250
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.683,,,Lipids and lipid-like molecules,0.683,Ala-DCA,"InChI=1S/C27H45NO5/c1-15(5-10-24(31)28-16(2)25(32)33)20-8-9-21-19-7-6-17-13-18(29)11-12-26(17,3)22(19)14-23(30)27(20,21)4/h15-23,29-30H,5-14H2,1-4H3,(H,28,31)(H,32,33)/t15-,16?,17-,18-,19+,20-,21+,22+,23+,26+,27-/m1/s1",C[C@H](CCC(N[C@H](C(O)=O)C)=O)[C@H]1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,C49H78N2O16,950.5345,Polyene macrolides,0.661,Polyketides,0.54,Macrolides,0.943,C49H79N2O16+,679.68,2251
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.938,Amino acids and derivatives,0.558,Amino acids and derivatives,0.558,"Amino acids, peptides, and analogues",0.567,Organic acids and derivatives,0.961,,,,C18H30N2O7,386.2071,Open-chain polyketides,0.077,Amino acids and Peptides,0.697,Small peptides,0.139,C18H31N2O7+,680.7,2254
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.606,,,Benzene and substituted derivatives,0.606,,,Benzenoids,0.709,,,,C25H36N2O8,492.2487,Open-chain polyketides,0.032,Amino acids and Peptides,0.839,Linear polyketides,0.192,C25H37N2O8+,678.8,2255
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monosaccharides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.554,Amino acids and derivatives,0.554,"Amino acids, peptides, and analogues",0.557,Organic acids and derivatives,0.978,,,,C17H28N2O7,372.1914,Dipeptides,0.059,Amino acids and Peptides,0.377,Ornithine alkaloids,0.242,C17H29N2O7+,679.26,2259
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Substituted pyrroles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Pyrroles,0.704,,,Substituted pyrroles,0.788,Substituted pyrroles,0.788,Organoheterocyclic compounds,0.994,,,,C30H36N4O5,532.2665,DKXanthenes and derivatives,0.153,Amino acids and Peptides,0.69,Linear polyketides,0.319,C30H36N4NaO5+,683.43,2267
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Glucuronides; Hydroxy acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Monosaccharides; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Oxanes; Glucuronic acid derivatives; Glycosyl compounds; Polyols; Benzenoids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.866,Amino acids and derivatives,0.531,Amino acids and derivatives,0.531,"Amino acids, peptides, and analogues",0.54,Organic acids and derivatives,0.857,,,,C30H42N6O9,630.3005,Open-chain polyketides,0.094,Amino acids and Peptides,0.614,Linear polyketides,0.281,C30H43N6O9+,682.73,2268
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.608,,,Fatty amides,0.569,Fatty amides,0.569,Lipids and lipid-like molecules,0.696,,,,C25H38N2O11,542.2487,Open-chain polyketides,0.392,Amino acids and Peptides,0.55,Linear polyketides,0.535,C25H39N2O11+,683.14,2272
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Cyclic alcohols and derivatives; Bile acids, alcohols and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; Amines; Primary amines; 7-hydroxysteroids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Steroids and steroid derivatives,0.533,"Hydroxy bile acids, alcohols and derivatives",0.681,"Hydroxy bile acids, alcohols and derivatives",0.681,"Bile acids, alcohols and derivatives",0.608,Lipids and lipid-like molecules,0.966,,,,C27H48N2O7,512.3458,Open-chain polyketides,0.158,Amino acids and Peptides,0.237,Macrolides,0.263,C27H49N2O7+,683.24,2273
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.862,Peptides,0.862,"Amino acids, peptides, and analogues",0.972,Organic acids and derivatives,0.999,,,,C24H34N3O5,444.2497,Cyclic peptides,0.31,Amino acids and Peptides,0.994,Small peptides,0.704,C24H35N3O5+,683.97,2274
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.716,Peptides,0.716,"Amino acids, peptides, and analogues",0.944,Organic acids and derivatives,0.999,,,,C27H36N6O7,556.2639,Cyclic peptides,0.39,Amino acids and Peptides,0.958,Oligopeptides,0.892,C27H37N6O7+,683.97,2277
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.556,Dialkylarylamines,0.6,Amines,0.86,Organic nitrogen compounds,1,,,,C24H36N6O4,472.2799,Purine nucleosides,0.053,Alkaloids,0.378,Small peptides,0.107,C24H37N6O4+,685.04,2279
[M + H]+,Organic compounds; Organoheterocyclic compounds; Tetrazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Phenyltetrazoles and derivatives; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.793,Phenyltetrazoles and derivatives,0.564,Phenyltetrazoles and derivatives,0.564,Tetrazoles,0.746,Organoheterocyclic compounds,0.984,,,,C26H34N6O5,510.259,Dipeptides,0.039,Amino acids and Peptides,0.579,Oligopeptides,0.251,C26H35N6O5+,685.28,2281
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.582,Alpha amino acids and derivatives,0.549,"Amino acids, peptides, and analogues",0.59,Organic acids and derivatives,0.999,,,,C24H38N2O9,498.2591,Open-chain polyketides,0.064,Amino acids and Peptides,0.715,Linear polyketides,0.104,C24H39N2O9+,683.61,2283
[M + H]+,Organic compounds; Organoheterocyclic compounds; Imidazoles; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Monoalkylamines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.822,Amphetamines and derivatives,0.628,Amphetamines and derivatives,0.628,Phenethylamines,0.6,Benzenoids,0.908,,,,C24H43N7O5,509.3346,Purine nucleosides,0.328,Amino acids and Peptides,0.922,Oligopeptides,0.583,C24H44N7O5+,683.97,2285
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Oxanes; Limonoids; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.456,Limonoids,0.689,Limonoids,0.689,Triterpenoids,0.473,Lipids and lipid-like molecules,0.681,,,,C29H36O7,496.246,Limonoids,0.7,Terpenoids,0.664,Triterpenoids,0.85,C29H37O7+,683.96,2286
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Secondary alcohols; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.794,,,Benzene and substituted derivatives,0.794,,,Benzenoids,0.878,,,,C25H38N6O5,502.2897,Purine alkaloids,0.025,Amino acids and Peptides,0.628,Oligopeptides,0.291,C25H39N6O5+,685.56,2287
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.503,,,Fatty Acyls,0.503,,,Lipids and lipid-like molecules,0.661,,,,C26H38O5,430.2712,Open-chain polyketides,0.838,Polyketides,0.897,Linear polyketides,0.876,C26H39O5+,685.63,2288
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.629,Peptides,0.629,"Amino acids, peptides, and analogues",0.956,Organic acids and derivatives,0.998,,,,C45H74N8O13,934.5385,Cyclic peptides,0.454,Amino acids and Peptides,0.936,Oligopeptides,0.977,C45H75N8O13+,686.22,2290
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.893,N-acyl-alpha amino acids and derivatives,0.51,"Amino acids, peptides, and analogues",0.9,Organic acids and derivatives,0.989,,,,C28H38N6O8,586.2747,Linear peptides,0.052,Amino acids and Peptides,0.779,Oligopeptides,0.658,C28H39N6O8+,686.31,2294
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.775,N-acyl-alpha amino acids and derivatives,0.565,"Amino acids, peptides, and analogues",0.784,Organic acids and derivatives,0.999,,,,C22H38N2O8,458.2645,Open-chain polyketides,0.09,Amino acids and Peptides,0.796,Linear polyketides,0.101,C22H39N2O8+,686.34,2295
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Diazines; Secondary alcohols; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.73,,,Benzene and substituted derivatives,0.73,,,Benzenoids,0.796,,,,C24H32N6O5,484.2437,Purine alkaloids,0.081,Alkaloids,0.409,Pseudoalkaloids (transamidation),0.139,C24H33N6O5+,687.53,2296
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.554,,,Azoles,0.554,,,Organoheterocyclic compounds,0.979,,,,C24H32N6O5,484.2439,Purine alkaloids,0.01,Amino acids and Peptides,0.663,Oligopeptides,0.043,C24H31N6O4+,687.99,2299
[M + H]+,"Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Dicarboxylic acids and derivatives; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; Thia fatty acids; Secondary carboxylic acid amides; Carbonyl compounds; Heterocyclic fatty acids; Alpha amino acid amides; N-acyl-alpha amino acids; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.502,Peptides,0.502,"Amino acids, peptides, and analogues",0.854,Organic acids and derivatives,0.996,,,,C18H36N2O6S,408.23,Dipeptides,0.112,Fatty acids,0.435,Small peptides,0.121,C18H37N2O6S+,687.99,2300
[M + H]+,Organic compounds; Organoheterocyclic compounds; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Secondary alcohols; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.751,,,Benzene and substituted derivatives,0.751,,,Benzenoids,0.683,,,,C24H36N6O5,488.2745,Purine nucleosides,0.29,Amino acids and Peptides,0.558,Oligopeptides,0.21,C24H37N6O5+,687.53,2302
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.681,,,Fatty Acyls,0.681,,,Lipids and lipid-like molecules,0.795,,,,C28H49NO8,527.3451,Open-chain polyketides,0.466,Alkaloids,0.42,Linear polyketides,0.531,C28H50NO8+,687.77,2303
[M + H]+,Organic compounds; Fluorenes; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,Fluorenes,0.577,,,Fluorenes,0.577,,,Benzenoids,0.996,,,,C13H8,164.0628,Anthraquinones and anthrones,0.299,Polyketides,0.133,Polycyclic aromatic polyketides,0.138,C13H9+,689.18,2304
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenols; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.807,Oligopeptides,0.522,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,0.999,,,,C50H78N6O12,954.562,Cyclic peptides,0.589,Amino acids and Peptides,0.884,Oligopeptides,0.989,C50H79N6O12+,687.76,2307
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic carbonic acids and derivatives; Azoles; Ureas; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.776,,,Benzene and substituted derivatives,0.776,,,Benzenoids,0.838,,,,C18H28N6O3,376.2229,Purine nucleosides,0.011,Amino acids and Peptides,0.363,Small peptides,0.071,C18H29N6O3+,687.53,2311
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.97,Amino acids and derivatives,0.803,N-acyl-alpha amino acids and derivatives,0.626,"Amino acids, peptides, and analogues",0.816,Organic acids and derivatives,0.993,,,,C25H39N4O8P,554.2484,Cyclic peptides,0.16,Amino acids and Peptides,0.946,Oligopeptides,0.373,C25H40N4O8P+,688.46,2313
,,,,,,,,,,,,,,,,1424.7297,,,,,,,,687.95,2315
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary alcohols; Carbonyl compounds; Polyols; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.982,Amino acids and derivatives,0.712,Amino acids and derivatives,0.712,"Amino acids, peptides, and analogues",0.715,Organic acids and derivatives,0.994,,,,C23H38N2O10,502.2513,Open-chain polyketides,0.314,Amino acids and Peptides,0.207,Linear polyketides,0.306,C23H39N2O10+,687.3,2318
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Carboxylic acids and derivatives,0.92,Amino acids and derivatives,0.502,Amino acids and derivatives,0.502,"Amino acids, peptides, and analogues",0.499,Organic acids and derivatives,0.954,,,,C56H72N2O11,948.5173,Ansa macrolides,0.321,Polyketides,0.355,Macrolides,0.914,C56H73N2O11+,687.53,2319
[M + H]+,"Organic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Guanidines; Monoalkylamines; Carbonyl compounds; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.458,Amino acids and derivatives,0.498,Alpha amino acids and derivatives,0.53,"Amino acids, peptides, and analogues",0.51,Organic acids and derivatives,0.639,,,,C11H30N12O5,410.2452,Imidazole alkaloids,0.659,Amino acids and Peptides,0.52,Histidine alkaloids,0.657,C11H31N12O5+,688.08,2320
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.9,Oligopeptides,0.597,"Amino acids, peptides, and analogues",0.987,Organic acids and derivatives,0.999,,,,C27H40N6O6,544.3011,Linear peptides,0.447,Amino acids and Peptides,0.995,Oligopeptides,0.943,C27H41N6O6+,688.74,2321
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.659,Peptides,0.659,"Amino acids, peptides, and analogues",0.976,Organic acids and derivatives,0.998,,,,C22H30N6O5,458.2283,Linear peptides,0.307,Amino acids and Peptides,0.988,Oligopeptides,0.94,C22H31N6O5+,689.27,2322
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities",Carboxylic acids and derivatives,1,Peptides,0.737,Dipeptides,0.513,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,1,,,,C23H36N2O8,468.2489,Dipeptides,0.146,Amino acids and Peptides,0.972,Small peptides,0.44,C23H37N2O8+,689.86,2324
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.893,Peptides,0.637,Peptides,0.637,"Amino acids, peptides, and analogues",0.85,Organic acids and derivatives,0.958,,,,C22H38N6O7,498.2808,Linear peptides,0.323,Amino acids and Peptides,0.978,Oligopeptides,0.813,C22H39N6O7+,689.63,2325
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities",Carboxylic acids and derivatives,1,Peptides,0.74,Dipeptides,0.613,"Amino acids, peptides, and analogues",0.991,Organic acids and derivatives,1,,,,C23H36N2O8,468.2488,Tripeptides,0.129,Amino acids and Peptides,0.939,Small peptides,0.445,C23H37N2O8+,689.62,2326
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Phenethylamines; Amphetamines and derivatives; Indoles and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Substituted pyrroles; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Indoles; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; 3-alkylindoles; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.975,Oligopeptides,0.675,"Amino acids, peptides, and analogues",0.997,Organic acids and derivatives,1,,,,C46H66N12O9,930.5076,Cyclic peptides,0.824,Amino acids and Peptides,0.998,Oligopeptides,0.998,C46H67N12O9+,689.85,2327
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.606,,,Heteroaromatic compounds,0.606,,,Organoheterocyclic compounds,0.977,,,,C24H32N3O4,426.2405,Open-chain polyketides,0.401,Amino acids and Peptides,0.432,Linear polyketides,0.811,C24H33N3O4+,691.5,2330
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.805,Alpha amino acids and derivatives,0.788,"Amino acids, peptides, and analogues",0.83,Organic acids and derivatives,0.997,,,,C26H45N4O6,509.3352,Cyclic peptides,0.264,Amino acids and Peptides,0.908,Oligopeptides,0.951,C26H46N4O6+,690.22,2332
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.858,Oligopeptides,0.687,"Amino acids, peptides, and analogues",0.978,Organic acids and derivatives,0.998,,,,C28H44N6O7,576.3265,Cyclic peptides,0.844,Amino acids and Peptides,0.993,Oligopeptides,0.992,C28H45N6O7+,690.57,2336
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Carboxylic acids and derivatives,0.979,,,Dicarboxylic acids and derivatives,0.524,Dicarboxylic acids and derivatives,0.524,Organic acids and derivatives,0.988,,,,C26H38O7,462.2613,Open-chain polyketides,0.652,Polyketides,0.572,Linear polyketides,0.418,C26H38NaO7+,692.52,2337
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.987,Peptides,0.85,Oligopeptides,0.547,"Amino acids, peptides, and analogues",0.976,Organic acids and derivatives,0.997,,,,C25H36N6O7,532.2669,Linear peptides,0.408,Amino acids and Peptides,0.994,Oligopeptides,0.987,C25H36N6NaO7+,692.04,2338
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; Glycosylamines; Polyols; Fatty Acyls; Acetamides; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.96,Amino acids and derivatives,0.573,Amino acids and derivatives,0.573,"Amino acids, peptides, and analogues",0.579,Organic acids and derivatives,0.988,,,,C24H40N4O14,608.2558,Aminosugars,0.266,Carbohydrates,0.982,Aminosugars and aminoglycosides,0.754,C24H41N4O14+,691.09,2341
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.879,Alpha amino acids and derivatives,0.777,"Amino acids, peptides, and analogues",0.894,Organic acids and derivatives,0.997,,,,C33H45N7O8,667.3299,Depsipeptides,0.224,Amino acids and Peptides,0.622,Oligopeptides,0.917,C33H46N7O8+,691.25,2342
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.639,Peptides,0.639,"Amino acids, peptides, and analogues",0.958,Organic acids and derivatives,0.998,,,,C30H46N6O8,618.3369,Cyclic peptides,0.349,Amino acids and Peptides,0.868,Oligopeptides,0.844,C30H47N6O8+,691.86,2343
,,,,,,,,,,,,,,,,962.47,,,,,,,,690.93,2345
,,,,,,,,,,,,,,,,534.3269,,,,,,,,691.98,2346
,,,,,,,,,,,,,,,,462.2957,,,,,,,,691.98,2347
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Biphenyls and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.945,Amino acids and derivatives,0.626,Amino acids and derivatives,0.626,"Amino acids, peptides, and analogues",0.628,Organic acids and derivatives,0.972,,,,C26H34N6O5,510.259,Dipeptides,0.088,Amino acids and Peptides,0.546,Small peptides,0.133,C26H35N6O5+,691.86,2348
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Aminopyrimidines and derivatives; Diazines; Amines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.766,Aminopyrimidines and derivatives,0.82,Aminopyrimidines and derivatives,0.82,Pyrimidines and pyrimidine derivatives,0.767,Organoheterocyclic compounds,0.997,,,,C22H30N6O4,442.2335,Purine alkaloids,0.435,Alkaloids,0.884,Pseudoalkaloids (transamidation),0.569,C22H31N6O4+,691.25,2349
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Thiazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; 2,4-disubstituted thiazoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Azoles,0.859,"2,4-disubstituted thiazoles",0.523,"2,4-disubstituted thiazoles",0.523,Thiazoles,0.753,Organoheterocyclic compounds,0.993,,,,C32H38N6O3S,586.2744,Cyclamides,0.374,Amino acids and Peptides,0.977,Linear polyketides,0.904,C32H39N6O3S+,692.58,2350
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.983,Amino acids and derivatives,0.927,Carbamate esters,0.666,"Amino acids, peptides, and analogues",0.934,Organic acids and derivatives,0.994,,,,C24H34N6O4,470.2643,Tripeptides,0.061,Amino acids and Peptides,0.962,Small peptides,0.513,C24H35N6O4+,691.49,2352
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.571,,,Benzenoids,0.571,,,,C56H74N2O11,950.5328,Polyene macrolides,0.168,Terpenoids,0.288,Macrolides,0.805,C56H75N2O11+,692.46,2353
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.773,Oligopeptides,0.581,"Amino acids, peptides, and analogues",0.987,Organic acids and derivatives,1,,,,C45H76N8O14,952.5479,Cyclic peptides,0.735,Amino acids and Peptides,0.973,Oligopeptides,0.996,C45H77N8O14+,693.14,2357
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.856,N-acyl-alpha amino acids and derivatives,0.653,"Amino acids, peptides, and analogues",0.869,Organic acids and derivatives,0.999,,,,C27H48N2O7,512.3456,Open-chain polyketides,0.138,Amino acids and Peptides,0.929,Oligopeptides,0.474,C27H49N2O7+,692.89,2358
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.929,Amino acids and derivatives,0.871,Alpha amino acid amides,0.648,"Amino acids, peptides, and analogues",0.888,Organic acids and derivatives,0.964,,,,C24H38N6O4,474.2948,Cyclic peptides,0.113,Amino acids and Peptides,0.92,Oligopeptides,0.721,C24H39N6O4+,692.09,2359
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.604,Peptides,0.604,"Amino acids, peptides, and analogues",0.958,Organic acids and derivatives,0.999,,,,C27H36N6O7,556.2639,Cyclic peptides,0.393,Amino acids and Peptides,0.941,Oligopeptides,0.914,C27H37N6O7+,692.46,2360
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.714,Peptides,0.714,"Amino acids, peptides, and analogues",0.948,Organic acids and derivatives,0.998,,,,C50H76N6O11,936.5533,Cyclic peptides,0.394,Amino acids and Peptides,0.931,Oligopeptides,0.985,C50H77N6O11+,692.93,2361
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; 3-oxosteroids; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Prenol lipids,0.736,,,Triterpenoids,0.535,Triterpenoids,0.535,Lipids and lipid-like molecules,0.969,,,,C26H34O4,410.2452,"Lanostane, Tirucallane and Euphane triterpenoids",0.542,Terpenoids,0.98,Triterpenoids,0.865,C26H35O4+,693.9,2363
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Diazines; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.768,Amino acids and derivatives,0.725,Alpha amino acids and derivatives,0.629,"Amino acids, peptides, and analogues",0.747,Organic acids and derivatives,0.844,,,,C20H30N12O3,486.2565,Tripeptides,0.069,Amino acids and Peptides,0.876,Oligopeptides,0.745,C20H31N12O3+,694.61,2364
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Secondary alcohols; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.678,,,Benzene and substituted derivatives,0.678,,,Benzenoids,0.795,,,,C24H36N6O4,472.2801,Purine alkaloids,0.09,Alkaloids,0.602,Pseudoalkaloids (transamidation),0.27,C24H37N6O4+,693.41,2367
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Acyclic diterpenoids; Diterpenoids; Secondary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.565,Acyclic diterpenoids,0.516,Acyclic diterpenoids,0.516,Diterpenoids,0.524,Lipids and lipid-like molecules,0.949,,,,C26H42O7,466.2926,Open-chain polyketides,0.645,Polyketides,0.523,Linear polyketides,0.361,C26H39O5+,694.35,2369
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Diterpenoids; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Polyols; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.7,,,Diterpenoids,0.631,Diterpenoids,0.631,Lipids and lipid-like molecules,0.945,,,,C26H42O7,466.2927,Open-chain polyketides,0.504,Polyketides,0.474,Linear polyketides,0.299,C26H42NaO7+,694.71,2372
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.789,Branched fatty acids,0.536,Methyl-branched fatty acids,0.502,Fatty acids and conjugates,0.561,Lipids and lipid-like molecules,0.875,,,,C26H42O7,466.2932,Open-chain polyketides,0.923,Polyketides,0.949,Linear polyketides,0.813,C26H42NaO7+,695.04,2373
[M - H4O2 + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Amines; Organic 1,3-dipolar compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.853,Amino acids and derivatives,0.533,Amino acids and derivatives,0.533,"Amino acids, peptides, and analogues",0.545,Organic acids and derivatives,0.917,,,,C24H38N6O7,522.2801,Cyclic peptides,0.047,Amino acids and Peptides,0.635,Oligopeptides,0.341,C24H35N6O5+,695.74,2374
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.583,,,Fatty Acyls,0.583,,,Lipids and lipid-like molecules,0.769,,,,C24H38O5,428.2557,Open-chain polyketides,0.938,Polyketides,0.936,Linear polyketides,0.878,C24H38NaO5+,694.67,2377
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Diazines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.929,Amino acids and derivatives,0.541,Amino acids and derivatives,0.541,"Amino acids, peptides, and analogues",0.552,Organic acids and derivatives,0.977,,,,C24H32N6O5,484.2441,Purine alkaloids,0.059,Amino acids and Peptides,0.814,Small peptides,0.199,C24H31N6O4+,698.61,2387
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.964,Amino acids and derivatives,0.752,N-acyl-alpha amino acids,0.534,"Amino acids, peptides, and analogues",0.769,Organic acids and derivatives,0.989,,,,C24H32N6O5,484.2437,Tripeptides,0.213,Amino acids and Peptides,0.971,Small peptides,0.562,C24H31N6O4+,698.18,2389
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.922,Amino acids and derivatives,0.579,Amino acids and derivatives,0.579,"Amino acids, peptides, and analogues",0.586,Organic acids and derivatives,0.966,,,,C24H32N6O5,484.2437,Cyclamides,0.06,Amino acids and Peptides,0.799,Oligopeptides,0.482,C24H33N6O5+,698.06,2390
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Azoles; Thioethers; Aminopyrimidines and derivatives; Diazines; Amines; Dialkylthioethers; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.555,Aminopyrimidines and derivatives,0.545,Aminopyrimidines and derivatives,0.545,Pyrimidines and pyrimidine derivatives,0.558,Organoheterocyclic compounds,0.985,,,,C19H34N6O3S,426.2408,Cyclamides,0.386,Carbohydrates,0.24,Oligopeptides,0.238,C19H33N6O2S+,698.32,2391
[M + H]+,Organic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Secondary alcohols; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.764,,,Benzene and substituted derivatives,0.764,,,Benzenoids,0.737,,,,C23H34N6O4,458.2647,Tripeptides,0.195,Alkaloids,0.722,Pseudoalkaloids (transamidation),0.479,C23H35N6O4+,698.18,2393
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Cyclic ketones; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Ketones,0.827,Cyclohexenones,0.525,Carbonyl compounds,0.966,Organic oxygen compounds,1,,,,C26H34O5,426.2408,Limonoids,0.205,Terpenoids,0.717,Triterpenoids,0.555,C26H35O5+,698.4,2395
,,,,,,,,,,,,,,,,944.4597,,,,,,,,698.29,2399
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.985,Peptides,0.795,Oligopeptides,0.508,"Amino acids, peptides, and analogues",0.953,Organic acids and derivatives,0.995,,,,C30H46N6O8,618.3366,Cyclic peptides,0.643,Amino acids and Peptides,0.981,Oligopeptides,0.99,C30H47N6O8+,698.07,2400
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Trialkylamines; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.939,Alpha amino acids and derivatives,0.677,"Amino acids, peptides, and analogues",0.942,Organic acids and derivatives,1,,,,C26H42N2O10,542.2844,Pyrrolizidine alkaloids,0.155,Polyketides,0.516,Macrolides,0.715,C26H43N2O10+,697.61,2407
,,,,,,,,,,,,,,,,1424.7321,,,,,,,,698.3,2408
,,,,,,,,,,,,,,,,962.4701,,,,,,,,697.95,2409
,,,,,,,,,,,,,,,,966.4994,,,,,,,,696.33,2411
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.778,Oligopeptides,0.557,"Amino acids, peptides, and analogues",0.986,Organic acids and derivatives,0.998,,,,C27H36N6O6,540.2693,Cyclic peptides,0.634,Amino acids and Peptides,0.995,Oligopeptides,0.973,C27H37N6O6+,697.14,2412
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.859,Alpha amino acids and derivatives,0.779,"Amino acids, peptides, and analogues",0.875,Organic acids and derivatives,0.995,,,,C46H66N12O9,930.5079,Linear peptides,0.339,Amino acids and Peptides,0.736,Oligopeptides,0.89,C46H67N12O9+,697.61,2413
[M + H]+,Organic compounds; Organoheterocyclic compounds; Quinolones and derivatives; Ketones; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Quinolines and derivatives; Hydroquinolines; Hydroquinolones; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Quinolines and derivatives,0.508,Hydroquinolones,0.539,Hydroquinolones,0.539,Quinolones and derivatives,0.596,Organoheterocyclic compounds,0.958,dn-9693 free base,"""InChI=1S/C15H18N4O/c20-14-10-19-9-11-8-12(18-6-2-1-3-7-18)4-5-13(11)16-15(19)17-14/h4-5,8H,1-3,6-7,9-10H2,(H,16,17,20)""",O=C1CN2Cc3c(ccc(N4CCCCC4)c3)N=C2N1,C17H21NO2,271.157,Quinoline alkaloids,0.169,Alkaloids,0.89,Anthranilic acid alkaloids,0.475,C17H22NO2+,696.1,2415
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Trialkylamines; Benzenoids; Amines; Tertiary amines; Aralkylamines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,0.999,Aralkylamines,0.758,Aralkylamines,0.758,Amines,0.906,Organic nitrogen compounds,0.999,,,,C18H21NO3,299.1547,Isoquinoline alkaloids,0.325,Alkaloids,0.724,Tyrosine alkaloids,0.895,C18H22NO3+,696.11,2416
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.798,Carbamate esters,0.726,"Amino acids, peptides, and analogues",0.804,Organic acids and derivatives,0.992,,,,C24H32N6O4,468.2491,Dipeptides,0.038,Amino acids and Peptides,0.505,Small peptides,0.135,C24H33N6O4+,697.26,2421
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.696,Oligopeptides,0.533,"Amino acids, peptides, and analogues",0.984,Organic acids and derivatives,1,,,,C45H76N8O14,952.5481,Cyclic peptides,0.789,Amino acids and Peptides,0.951,Oligopeptides,0.995,C45H77N8O14+,698.25,2423
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Substituted pyrroles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Pyrroles,0.589,,,Substituted pyrroles,0.598,Substituted pyrroles,0.598,Organoheterocyclic compounds,0.978,,,,C28H36N4O3,476.2761,Open-chain polyketides,0.024,Alkaloids,0.449,Linear polyketides,0.229,C28H36N4NaO3+,699.83,2425
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.701,Peptides,0.701,"Amino acids, peptides, and analogues",0.986,Organic acids and derivatives,0.999,,,,C45H80N8O13,940.5849,Cyclic peptides,0.705,Amino acids and Peptides,0.962,Oligopeptides,0.995,C45H81N8O13+,700.45,2428
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.777,Amino acids and derivatives,0.671,Amino acids and derivatives,0.671,"Amino acids, peptides, and analogues",0.686,Organic acids and derivatives,0.842,,,,C30H46N6O4,554.3562,Dipeptides,0.049,Amino acids and Peptides,0.884,Oligopeptides,0.269,C30H47N6O4+,699.54,2429
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.961,Amino acids and derivatives,0.691,Amino acids and derivatives,0.691,"Amino acids, peptides, and analogues",0.704,Organic acids and derivatives,0.97,,,,C24H38N6O4,474.2956,Dipeptides,0.081,Amino acids and Peptides,0.873,Small peptides,0.515,C24H39N6O4+,700,2430
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.553,,,Benzenoids,0.553,,,,C56H76N2O10,936.5545,Tetracyclic diterpenoids,0.177,Terpenoids,0.404,Macrolides,0.773,C56H77N2O10+,701.27,2431
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.988,Amino acids and derivatives,0.669,Alpha amino acids and derivatives,0.587,"Amino acids, peptides, and analogues",0.683,Organic acids and derivatives,0.997,,,,C24H34N3O5,444.2511,Open-chain polyketides,0.645,Amino acids and Peptides,0.777,Linear polyketides,0.921,C24H35N3O5+,699.31,2433
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.926,Amino acids and derivatives,0.851,N-acyl-alpha amino acids,0.548,"Amino acids, peptides, and analogues",0.86,Organic acids and derivatives,0.975,,,,C24H30N6O5,482.2287,Dipeptides,0.198,Amino acids and Peptides,0.953,Oligopeptides,0.676,C24H31N6O5+,700.21,2435
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Hydroxamic acids; Monoalkylamines; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Acetohydroxamic acids; Fatty Acyls; Acetamides; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.773,Alpha amino acids and derivatives,0.525,"Amino acids, peptides, and analogues",0.785,Organic acids and derivatives,0.994,,,,C18H42N4O11,490.287,Polyamines,0.721,Fatty acids,0.247,Ornithine alkaloids,0.499,C18H43N4O11+,699.08,2437
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyridines and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.934,Amino acids and derivatives,0.668,Amino acids and derivatives,0.668,"Amino acids, peptides, and analogues",0.686,Organic acids and derivatives,0.965,,,,C23H32N6O4,456.2493,Cyclic peptides,0.018,Amino acids and Peptides,0.6,Oligopeptides,0.184,C23H33N6O4+,701.62,2438
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.843,,,Benzene and substituted derivatives,0.843,,,Benzenoids,0.921,,,,C24H36N6O5,488.2746,Purine nucleosides,0.045,Amino acids and Peptides,0.564,Oligopeptides,0.096,C24H37N6O5+,701.38,2440
[M + H]+,Organic compounds; Organoheterocyclic compounds; Tetrazoles; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.831,,,Benzene and substituted derivatives,0.831,,,Benzenoids,0.739,,,,C22H30N6O4,442.2334,Cyclamides,0.087,Amino acids and Peptides,0.571,Pseudoalkaloids (transamidation),0.159,C22H31N6O4+,701.96,2441
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.696,N-acyl-alpha amino acids and derivatives,0.507,"Amino acids, peptides, and analogues",0.702,Organic acids and derivatives,0.999,,,,C26H38N2O11,554.2485,Open-chain polyketides,0.05,Amino acids and Peptides,0.629,Linear polyketides,0.235,C26H39N2O11+,701.62,2442
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organooxygen compounds; Carotenoids; Xanthophylls; Tetraterpenoids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.957,Carotenoids,0.842,Xanthophylls,0.879,Tetraterpenoids,0.826,Lipids and lipid-like molecules,0.986,,,,C61H80O8,940.5851,"Carotenoids (C40, β-β)",0.472,Terpenoids,0.993,Carotenoids (C40),0.868,C61H81O8+,701.26,2443
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Pyrans; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid derivatives; Oxosteroids; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.811,,,Hydroxysteroids,0.607,Hydroxysteroids,0.607,Lipids and lipid-like molecules,0.931,,,,C28H36O7,484.2438,Ergostane steroids,0.037,Terpenoids,0.935,Triterpenoids,0.302,C28H37O7+,704.1,2446
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.893,,,Hydroxysteroids,0.757,Hydroxysteroids,0.757,Lipids and lipid-like molecules,0.908,,,,C26H38O7,462.2618,Ergostane steroids,0.243,Terpenoids,0.916,Steroids,0.535,C26H35O5+,704.02,2450
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.927,Amino acids and derivatives,0.701,Amino acids and derivatives,0.701,"Amino acids, peptides, and analogues",0.709,Organic acids and derivatives,0.967,,,,C24H34N6O5,486.2596,Dipeptides,0.091,Amino acids and Peptides,0.712,Small peptides,0.377,C24H35N6O5+,703.28,2451
[M - H2O + H]+,"Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Alpha amino acids; Amines; Primary amines; Sulfenyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.783,Peptides,0.783,"Amino acids, peptides, and analogues",0.975,Organic acids and derivatives,0.996,,,,C18H38N2O7S,426.2408,Tripeptides,0.2,Amino acids and Peptides,0.501,Small peptides,0.284,C18H37N2O6S+,703.71,2452
,,,,,,,,,,,,,,,,962.4699,,,,,,,,703.98,2455
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.524,,,Lipids and lipid-like molecules,0.524,,,,C23H34N3O4,416.2536,Open-chain polyketides,0.46,Amino acids and Peptides,0.455,Linear polyketides,0.446,C23H35N3O4+,702.75,2459
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid esters; Carbonyl compounds; Cyclic ketones; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.651,,,Lipids and lipid-like molecules,0.651,,,,C26H34O5,426.2407,Open-chain polyketides,0.021,Terpenoids,0.571,Triterpenoids,0.248,C26H35O5+,703.34,2461
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.852,Amino acids and derivatives,0.716,Amino acids and derivatives,0.716,"Amino acids, peptides, and analogues",0.735,Organic acids and derivatives,0.916,,,,C25H36N6O5,500.2744,Tripeptides,0.386,Amino acids and Peptides,0.777,Oligopeptides,0.336,C25H37N6O5+,703.15,2462
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.637,Peptides,0.637,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,1,,,,C45H74N8O14,950.5327,Cyclic peptides,0.555,Amino acids and Peptides,0.953,Oligopeptides,0.995,C45H75N8O14+,702.92,2463
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Benzene and substituted derivatives; Substituted imidazoles; Benzenoids; Amines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.781,Aminopyrimidines and derivatives,0.785,Aminopyrimidines and derivatives,0.785,Pyrimidines and pyrimidine derivatives,0.787,Organoheterocyclic compounds,0.998,,,,C24H32N6O4,468.2489,Purine alkaloids,0.077,Alkaloids,0.706,Pseudoalkaloids (transamidation),0.279,C24H33N6O4+,704.57,2464
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.682,,,Fatty Acyls,0.682,,,Lipids and lipid-like molecules,0.838,,,,C56H72N2O10,932.5233,Ansa macrolides,0.194,Amino acids and Peptides,0.243,Macrolides,0.89,C56H73N2O10+,705.75,2465
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Benzenoids; Amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.57,Aminopyrimidines and derivatives,0.551,Aminopyrimidines and derivatives,0.551,Pyrimidines and pyrimidine derivatives,0.547,Organoheterocyclic compounds,0.965,,,,C29H39N5O2,489.3084,Carboline alkaloids,0.022,Alkaloids,0.63,Tryptophan alkaloids,0.207,C29H40N5O2+,705.05,2467
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alkyl aryl ethers; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities,Phenol ethers,0.602,,,Phenol ethers,0.602,,,Benzenoids,0.764,,,,C18H28N6O3,376.2224,Purine alkaloids,0.254,Alkaloids,0.378,Pseudoalkaloids (transamidation),0.135,C18H29N6O3+,705.39,2478
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.667,,,Fatty Acyls,0.667,,,Lipids and lipid-like molecules,0.841,,,,C56H74N2O10,934.5386,Polyene macrolides,0.223,Amino acids and Peptides,0.411,Macrolides,0.803,C56H75N2O10+,705.75,2479
,,,,,,,,,,,,,,,,460.2795,,,,,,,,708.18,2492
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.956,Amino acids and derivatives,0.745,Amino acids,0.794,"Amino acids, peptides, and analogues",0.748,Organic acids and derivatives,0.965,,,,C24H36N6O5,488.2749,Purine nucleosides,0.144,Amino acids and Peptides,0.732,Small peptides,0.313,C24H37N6O5+,707.84,2493
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Ketones; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.77,N-acyl-alpha amino acids and derivatives,0.548,"Amino acids, peptides, and analogues",0.78,Organic acids and derivatives,0.999,,,,C26H38N2O11,554.2485,Piperidine alkaloids,0.087,Amino acids and Peptides,0.224,Linear polyketides,0.156,C26H39N2O11+,707.96,2497
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Aminopyrimidines and derivatives; Diazines; Secondary carboxylic acid amides; Carbonyl compounds; Substituted imidazoles; N-substituted imidazoles; Amines; Imidolactams; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.794,Amino acids and derivatives,0.713,Amino acids and derivatives,0.713,"Amino acids, peptides, and analogues",0.731,Organic acids and derivatives,0.876,,,,C24H43N7O5,509.3349,Purine nucleosides,0.154,Amino acids and Peptides,0.789,Oligopeptides,0.708,C24H44N7O5+,708.42,2498
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.583,Peptides,0.583,"Amino acids, peptides, and analogues",0.984,Organic acids and derivatives,0.999,,,,C46H72N12O9,936.5534,Linear peptides,0.413,Amino acids and Peptides,0.934,Oligopeptides,0.994,C46H73N12O9+,707.69,2499
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.775,Alpha amino acids and derivatives,0.57,"Amino acids, peptides, and analogues",0.788,Organic acids and derivatives,0.996,,,,C24H38N6O4,474.2952,Linear peptides,0.176,Amino acids and Peptides,0.926,Oligopeptides,0.407,C24H39N6O4+,709.93,2503
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.864,3-hydroxysteroids,0.731,3-hydroxysteroids,0.731,Hydroxysteroids,0.79,Lipids and lipid-like molecules,0.978,,,,C26H42O5,474.2956,"Lanostane, Tirucallane and Euphane triterpenoids",0.08,Terpenoids,0.92,Triterpenoids,0.285,C26H42NaO5+,709.94,2504
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acids; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.501,,,Fatty Acyls,0.501,,,Lipids and lipid-like molecules,0.542,,,,C24H38N6O4,474.2953,Purine nucleosides,0.059,Amino acids and Peptides,0.678,Small peptides,0.253,C24H39N6O4+,709.92,2505
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.739,,,Prenol lipids,0.739,,,Lipids and lipid-like molecules,0.907,,,,C26H42O6,450.2982,Open-chain polyketides,0.491,Polyketides,0.498,Linear polyketides,0.27,C26H39O4+,709.58,2507
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Diterpenoids; Secondary alcohols; Carbonyl compounds; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.639,,,Diterpenoids,0.703,Diterpenoids,0.703,Lipids and lipid-like molecules,0.891,,,,C26H42O6,450.2981,Open-chain polyketides,0.784,Polyketides,0.892,Linear polyketides,0.683,C26H42NaO6+,709.93,2508
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.677,,,Steroids and steroid derivatives,0.677,,,Lipids and lipid-like molecules,0.903,,,,C26H38O4,414.277,Ergostane steroids,0.034,Terpenoids,0.829,Steroids,0.26,C26H37O3+,709.16,2509
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Thiazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.511,Peptides,0.511,"Amino acids, peptides, and analogues",0.94,Organic acids and derivatives,0.998,,,,C23H42N2O7S,490.2695,Linear peptides,0.237,Amino acids and Peptides,0.865,Oligopeptides,0.923,C23H43N2O7S+,710.16,2510
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyridines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.97,Amino acids and derivatives,0.776,Alpha amino acids and derivatives,0.692,"Amino acids, peptides, and analogues",0.797,Organic acids and derivatives,0.985,,,,C57H74N6O6,938.5673,Depsipeptides,0.066,Amino acids and Peptides,0.478,Oligopeptides,0.481,C57H75N6O6+,709.9,2511
,,,,,,,,,,,,,,,,586.274,,,,,,,,709.92,2513
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.922,Amino acids and derivatives,0.821,Alpha amino acids and derivatives,0.622,"Amino acids, peptides, and analogues",0.837,Organic acids and derivatives,0.978,,,,C24H34N6O6,502.2533,Cyclic peptides,0.162,Amino acids and Peptides,0.938,Oligopeptides,0.709,C24H35N6O6+,709.38,2514
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organooxygen compounds; Monocarboxylic acids and derivatives; Retinoids; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.786,,,Retinoids,0.505,Retinoids,0.505,Lipids and lipid-like molecules,0.951,,,,C22H28O2,324.2089,Apocarotenoids (β-),0.669,Terpenoids,0.961,Apocarotenoids,0.631,C22H29O2+,709.38,2515
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.983,Peptides,0.7,Peptides,0.7,"Amino acids, peptides, and analogues",0.97,Organic acids and derivatives,0.995,,,,C57H76N6O6,940.5839,Cyclic peptides,0.332,Amino acids and Peptides,0.901,Oligopeptides,0.947,C57H77N6O6+,709.23,2516
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.745,Cyclic depsipeptides,0.782,Cyclic depsipeptides,0.782,Depsipeptides,0.745,Organic acids and derivatives,0.999,,,,C45H80N8O12,924.5904,Lipopeptides,0.9,Amino acids and Peptides,0.879,Oligopeptides,0.997,C45H81N8O12+,709.92,2518
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.712,,,Lipids and lipid-like molecules,0.712,,,,C56H78N2O9,922.5751,Polyene macrolides,0.292,Amino acids and Peptides,0.266,Macrolides,0.724,C56H79N2O9+,709.46,2519
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Cyclic alcohols and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Tertiary alcohols; Carbonyl compounds; Polyols; Benzenoids; Fatty Acyls; Acetamides; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.715,,,Benzenoids,0.715,,,,C25H38N2O9,510.2571,Cytochalasan alkaloids,0.062,Alkaloids,0.509,Pseudoalkaloids (transamidation),0.187,C25H39N2O9+,710.16,2521
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.948,Amino acids and derivatives,0.59,Amino acids and derivatives,0.59,"Amino acids, peptides, and analogues",0.593,Organic acids and derivatives,0.961,,,,C55H76N4O8,920.5599,Open-chain polyketides,0.38,Polyketides,0.342,Macrolides,0.52,C55H77N4O8+,712.03,2522
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.711,,,Fatty Acyls,0.711,,,Lipids and lipid-like molecules,0.871,,,,C56H76N2O10,936.5536,Polyene macrolides,0.164,Terpenoids,0.303,Macrolides,0.622,C56H77N2O10+,712.03,2525
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.59,N-acyl amines,0.559,N-acyl amines,0.559,Fatty amides,0.596,Lipids and lipid-like molecules,0.798,,,,C48H82N2O14,910.5751,Open-chain polyketides,0.396,Polyketides,0.409,Macrolides,0.806,C48H83N2O14+,711.8,2526
[M + H]+,Organic compounds; Organoheterocyclic compounds; Imidazoles; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Benzene and substituted derivatives; N-substituted imidazoles; Benzenoids; Amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.735,,,Benzene and substituted derivatives,0.735,,,Benzenoids,0.909,,,,C23H34N6O4,458.2644,Purine alkaloids,0.213,Alkaloids,0.643,Pseudoalkaloids (transamidation),0.349,C23H35N6O4+,710.62,2527
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.687,,,Lipids and lipid-like molecules,0.687,,,,C26H34O6,442.2335,Open-chain polyketides,0.377,Polyketides,0.751,Linear polyketides,0.405,C26H35O6+,710.97,2528
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Oxosteroids; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.849,,,Hydroxysteroids,0.718,Hydroxysteroids,0.718,Lipids and lipid-like molecules,0.977,,,,C27H36O6,456.2491,Fusidane triterpenoids,0.087,Terpenoids,0.992,Triterpenoids,0.854,C27H37O6+,711.32,2529
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.812,Oligopeptides,0.501,"Amino acids, peptides, and analogues",0.99,Organic acids and derivatives,0.998,,,,C47H78N6O9,870.5805,Cyclic peptides,0.485,Amino acids and Peptides,0.972,Oligopeptides,0.995,C47H79N6O9+,711.68,2530
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.914,Carbamate esters,0.699,"Amino acids, peptides, and analogues",0.922,Organic acids and derivatives,0.997,,,,C25H36N6O5,500.2745,Tripeptides,0.093,Amino acids and Peptides,0.945,Oligopeptides,0.633,C25H37N6O5+,712.97,2534
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Phenol ethers; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Alanine and derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.76,Peptides,0.76,"Amino acids, peptides, and analogues",0.997,Organic acids and derivatives,1,,,,C29H40N4O5,524.3003,Microginins,0.958,Amino acids and Peptides,0.994,Oligopeptides,0.95,C29H41N4O5+,712.5,2535
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Secondary alcohols; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.884,,,Benzene and substituted derivatives,0.884,,,Benzenoids,0.946,,,,C24H34N6O5,486.2593,Purine alkaloids,0.134,Alkaloids,0.417,Pseudoalkaloids (transamidation),0.12,C24H35N6O5+,714.04,2538
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Dipeptides; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.617,Dipeptides,0.504,"Amino acids, peptides, and analogues",0.923,Organic acids and derivatives,1,,,,C23H38N2O9,486.2595,Dipeptides,0.121,Amino acids and Peptides,0.797,Small peptides,0.237,C23H37N2O8+,712.84,2541
,,,,,,,,,,,,,,,,464.277,,,,,,,,713.9,2542
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.627,,,Lipids and lipid-like molecules,0.627,,,,C26H38O7,462.2617,Open-chain polyketides,0.395,Polyketides,0.75,Linear polyketides,0.398,C26H38NaO7+,713.37,2543
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monoacylglycerols; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Monoradylglycerols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Glycerolipids,0.949,Monoacylglycerols,0.813,Monoacylglycerols,0.813,Monoradylglycerols,0.814,Lipids and lipid-like molecules,0.984,,,,C24H40O5,430.2707,Monoacylglycerols,0.862,Fatty acids,0.987,Glycerolipids,0.968,C24H40NaO5+,713.69,2546
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.894,N-acyl-alpha amino acids,0.688,"Amino acids, peptides, and analogues",0.901,Organic acids and derivatives,0.999,,,,C22H38N2O8,458.2647,Dipeptides,0.074,Amino acids and Peptides,0.897,Small peptides,0.378,C22H39N2O8+,712.98,2547
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Thiazoles; Piperazines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Trialkylamines; Benzene and substituted derivatives; Diazinanes; Benzenoids; Amines; Tertiary amines; Tertiary alkylarylamines; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.931,Amino acids and derivatives,0.73,Amino acids and derivatives,0.73,"Amino acids, peptides, and analogues",0.732,Organic acids and derivatives,0.945,,,,C26H38N6OS2,514.2567,Tantazoles and mirabazoles,0.108,Amino acids and Peptides,0.8,Oligopeptides,0.237,C26H39N6OS2+,714.23,2549
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.988,Peptides,0.823,Peptides,0.823,"Amino acids, peptides, and analogues",0.991,Organic acids and derivatives,0.996,,,,C47H66N16O5,934.5406,Linear peptides,0.55,Amino acids and Peptides,0.982,Oligopeptides,0.99,C47H67N16O5+,714.38,2553
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.801,,,Lipids and lipid-like molecules,0.801,,,,C29H40O9,532.2668,Quassinoids,0.147,Terpenoids,0.728,Triterpenoids,0.527,C29H40NaO9+,715.34,2557
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Benzyloxycarbonyls; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.634,Peptides,0.634,"Amino acids, peptides, and analogues",0.985,Organic acids and derivatives,1,,,,C21H34N2O8,442.2333,Dipeptides,0.269,Amino acids and Peptides,0.85,Small peptides,0.71,C21H35N2O8+,716.51,2558
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.987,Peptides,0.738,Oligopeptides,0.538,"Amino acids, peptides, and analogues",0.96,Organic acids and derivatives,0.998,,,,C30H44N6O7,600.3265,Cyclic peptides,0.451,Amino acids and Peptides,0.971,Oligopeptides,0.915,C30H45N6O7+,716.01,2560
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.624,,,Prenol lipids,0.624,,,Lipids and lipid-like molecules,0.905,,,,C25H42O5,444.2844,Open-chain polyketides,0.061,Terpenoids,0.817,Sesterterpenoids,0.189,C25H42NaO5+,715.62,2561
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.988,Amino acids and derivatives,0.935,N-acyl-alpha amino acids and derivatives,0.793,"Amino acids, peptides, and analogues",0.946,Organic acids and derivatives,0.99,,,,C24H38N6O4,474.2941,Tripeptides,0.598,Amino acids and Peptides,0.99,Oligopeptides,0.839,C24H39N6O4+,715.34,2562
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Diazinanes; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.907,Carbamate esters,0.561,"Amino acids, peptides, and analogues",0.913,Organic acids and derivatives,0.999,,,,C24H32N6O4,468.2485,Dipeptides,0.061,Amino acids and Peptides,0.951,Small peptides,0.544,C24H33N6O4+,716.97,2566
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.569,Amino acids and derivatives,0.556,Amino acids and derivatives,0.556,"Amino acids, peptides, and analogues",0.571,Organic acids and derivatives,0.691,,,,C22H34N6O3,430.2701,Dipeptides,0.136,Amino acids and Peptides,0.789,Small peptides,0.358,C22H35N6O3+,717.21,2567
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.954,Alpha amino acids and derivatives,0.787,"Amino acids, peptides, and analogues",0.959,Organic acids and derivatives,0.999,,,,C48H72N6O10,892.5293,Depsipeptides,0.334,Amino acids and Peptides,0.397,Oligopeptides,0.873,C48H73N6O10+,718.37,2571
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Phenols; Prenol lipids; Organooxygen compounds; Benzenediols; Benzene and substituted derivatives; Benzenoids; Hydrocarbon derivatives; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; 1-hydroxy-4-unsubstituted benzenoids; Chemical entities,Phenols,0.913,,,Benzenediols,0.718,Benzenediols,0.718,Benzenoids,0.963,,,,C24H30O3,366.2195,Cannabinoids,0.866,Terpenoids,0.971,Meroterpenoids,0.973,C24H31O3+,717.8,2572
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.743,Peptides,0.743,"Amino acids, peptides, and analogues",0.964,Organic acids and derivatives,0.999,,,,C27H38N6O6,542.285,Cyclic peptides,0.406,Amino acids and Peptides,0.99,Oligopeptides,0.945,C27H39N6O6+,718.27,2575
,,,,,,,,,,,,,,,,442.2695,,,,,,,,717.74,2577
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.608,,,Fatty Acyls,0.608,,,Lipids and lipid-like molecules,0.876,,,,C24H42O5,432.2851,Monacolins and Monacolin derivatives,0.149,Polyketides,0.41,Steroids,0.406,C24H42NaO5+,718.02,2578
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.628,Hydroxy fatty acids,0.564,Hydroxy fatty acids,0.564,Fatty acids and conjugates,0.506,Lipids and lipid-like molecules,0.923,,,,C26H42O6,450.298,Open-chain polyketides,0.653,Polyketides,0.721,Linear polyketides,0.358,C26H39O4+,718.52,2579
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",,,,,Lipids and lipid-like molecules,0.697,,,Lipids and lipid-like molecules,0.697,,,,C26H34O4,410.2454,Monocarbocyclic sesterterpenoids,0.03,Terpenoids,0.958,Sesterterpenoids,0.199,C26H35O4+,718.59,2582
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Hydroxy fatty acids; Amino acids and derivatives; Monoalkylamines; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.966,Amino acids and derivatives,0.899,Alpha amino acids and derivatives,0.82,"Amino acids, peptides, and analogues",0.904,Organic acids and derivatives,0.981,,,,C15H36N6O6,396.2664,Dipeptides,0.418,Amino acids and Peptides,0.897,Small peptides,0.849,C15H37N6O6+,719.74,2583
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.914,Amino acids and derivatives,0.774,Carbamate esters,0.524,"Amino acids, peptides, and analogues",0.78,Organic acids and derivatives,0.933,,,,C24H36N6O4,472.2799,Dipeptides,0.026,Amino acids and Peptides,0.596,Small peptides,0.207,C24H37N6O4+,720.39,2588
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Tricarboxylic acids and derivatives; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.934,Amino acids and derivatives,0.579,Alpha amino acids and derivatives,0.537,"Amino acids, peptides, and analogues",0.578,Organic acids and derivatives,0.97,,,,C56H76N2O9,920.5592,Open-chain polyketides,0.18,Terpenoids,0.299,Macrolides,0.599,C56H77N2O9+,719.33,2589
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.694,Alpha amino acids and derivatives,0.667,"Amino acids, peptides, and analogues",0.705,Organic acids and derivatives,0.999,,,,C23H36N2O8,468.249,Antimycins,0.041,Amino acids and Peptides,0.942,Macrolides,0.192,C23H37N2O8+,719.09,2592
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.933,Amino acids and derivatives,0.521,Amino acids and derivatives,0.521,"Amino acids, peptides, and analogues",0.52,Organic acids and derivatives,0.957,,,,C56H74N2O9,918.5436,Ansa macrolides,0.182,Polyketides,0.462,Macrolides,0.753,C56H75N2O9+,718.63,2593
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.805,Dialkylarylamines,0.853,Amines,0.89,Organic nitrogen compounds,1,,,,C24H36N6O4,472.2801,Purine alkaloids,0.044,Alkaloids,0.655,Pseudoalkaloids (transamidation),0.077,C24H37N6O4+,720.16,2595
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.82,,,Lipids and lipid-like molecules,0.82,,,,C56H78N2O9,922.5752,Polyene macrolides,0.114,Terpenoids,0.465,Macrolides,0.831,C56H79N2O9+,720.26,2598
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.701,,,Lipids and lipid-like molecules,0.701,,,,C26H38O7,462.2617,Open-chain polyketides,0.113,Polyketides,0.493,Diterpenoids,0.159,C26H38NaO7+,721.66,2600
[M - H4O2 + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.662,Alpha amino acids and derivatives,0.501,"Amino acids, peptides, and analogues",0.682,Organic acids and derivatives,0.996,,,,C24H36N3O6,462.2618,Cyclic peptides,0.122,Amino acids and Peptides,0.944,Small peptides,0.389,C24H33N3O4+,722.47,2601
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.611,,,Lipids and lipid-like molecules,0.611,,,,C26H38O7,462.2618,Quassinoids,0.265,Terpenoids,0.623,Triterpenoids,0.237,C26H38NaO7+,721.43,2602
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.596,,,Steroids and steroid derivatives,0.596,,,Lipids and lipid-like molecules,0.847,,,,C29H40O9,532.267,"Lanostane, Tirucallane and Euphane triterpenoids",0.113,Terpenoids,0.783,Triterpenoids,0.679,C29H40NaO9+,722.07,2603
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.607,,,Benzenoids,0.607,,,,C56H74N2O10,934.5384,Polyene macrolides,0.326,Polyketides,0.257,Macrolides,0.866,C56H75N2O10+,721.31,2610
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.925,Amino acids and derivatives,0.751,Alpha amino acids and derivatives,0.606,"Amino acids, peptides, and analogues",0.766,Organic acids and derivatives,0.963,,,,C25H36N6O5,500.2747,Dipeptides,0.095,Amino acids and Peptides,0.955,Oligopeptides,0.456,C25H37N6O5+,720.61,2611
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Acetamides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.789,Alpha amino acids and derivatives,0.595,"Amino acids, peptides, and analogues",0.805,Organic acids and derivatives,0.996,,,,C26H36N6O4,496.2794,Cyclic peptides,0.181,Amino acids and Peptides,0.908,Oligopeptides,0.42,C26H37N6O4+,720.94,2612
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Thiazoles; Alcohols and polyols; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.836,Alpha amino acids and derivatives,0.868,"Amino acids, peptides, and analogues",0.862,Organic acids and derivatives,0.997,,,,C51H76N6O6S2,932.523,Cyclamides,0.446,Amino acids and Peptides,0.944,Oligopeptides,0.996,C51H77N6O6S2+,721.66,2614
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.924,Amino acids and derivatives,0.801,Amino acids and derivatives,0.801,"Amino acids, peptides, and analogues",0.805,Organic acids and derivatives,0.971,,,,C24H32N6O5,484.2438,Imidazole alkaloids,0.068,Amino acids and Peptides,0.481,Small peptides,0.241,C24H33N6O5+,723.17,2615
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.986,Peptides,0.833,Oligopeptides,0.57,"Amino acids, peptides, and analogues",0.95,Organic acids and derivatives,0.998,,,,C45H70N8O13,930.5074,Cyclic peptides,0.506,Amino acids and Peptides,0.955,Oligopeptides,0.947,C45H71N8O13+,722.35,2616
,,,,,,,,,,,,,,,,616.321,,,,,,,,722.82,2617
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.883,Amino acids and derivatives,0.571,Amino acids and derivatives,0.571,"Amino acids, peptides, and analogues",0.58,Organic acids and derivatives,0.965,,,,C24H36N6O5,488.2751,Purine nucleosides,0.107,Amino acids and Peptides,0.469,Nucleosides,0.343,C24H37N6O5+,724.57,2619
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.712,Peptides,0.712,"Amino acids, peptides, and analogues",0.976,Organic acids and derivatives,1,,,,C24H34N6O5,486.2585,Linear peptides,0.516,Amino acids and Peptides,0.994,Oligopeptides,0.883,C24H33N6O4+,724,2620
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.972,Amino acids and derivatives,0.911,Alpha amino acids and derivatives,0.685,"Amino acids, peptides, and analogues",0.92,Organic acids and derivatives,0.994,,,,C25H36N6O5,500.2747,Cyclic peptides,0.164,Amino acids and Peptides,0.911,Oligopeptides,0.65,C25H37N6O5+,725.99,2622
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Benzyloxycarbonyls; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.669,Peptides,0.669,"Amino acids, peptides, and analogues",0.969,Organic acids and derivatives,1,,,,C23H34N2O9,482.2277,Dipeptides,0.121,Amino acids and Peptides,0.922,Small peptides,0.521,C23H35N2O9+,725.27,2623
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Benzoic acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; 1,2-aminoalcohols; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Fatty Acyls,0.714,N-acyl amines,0.505,N-acyl amines,0.505,Fatty amides,0.608,Lipids and lipid-like molecules,0.813,,,,C30H52N2O8,568.3715,Open-chain polyketides,0.475,Polyketides,0.356,Macrolides,0.693,C30H53N2O8+,723.64,2626
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.818,,,Fatty acids and conjugates,0.529,Fatty acids and conjugates,0.529,Lipids and lipid-like molecules,0.93,,,,C24H38O5,428.2558,Prostaglandins,0.085,Fatty acids,0.431,Eicosanoids,0.399,C24H38NaO5+,724.22,2627
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Macrolides and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Macrolides and analogues,0.507,,,Macrolides and analogues,0.507,,,Phenylpropanoids and polyketides,0.219,,,,C28H47NO7,509.3349,Open-chain polyketides,0.395,Polyketides,0.491,Macrolides,0.64,C28H48NO7+,724.22,2629
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Biphenyls and derivatives; Tetrazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.943,Amino acids and derivatives,0.64,Amino acids and derivatives,0.64,"Amino acids, peptides, and analogues",0.648,Organic acids and derivatives,0.981,,,,C24H32N6O4,468.2489,Cyclamides,0.033,Amino acids and Peptides,0.357,Oligopeptides,0.16,C24H33N6O4+,725.99,2631
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acids; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Carbonyl compounds; Amines; Imidolactams; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.875,Amino acids and derivatives,0.559,Amino acids and derivatives,0.559,"Amino acids, peptides, and analogues",0.571,Organic acids and derivatives,0.846,,,,C24H38N6O5,490.2907,Cyclamides,0.043,Amino acids and Peptides,0.484,Small peptides,0.167,C24H37N6O4+,726.94,2633
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Purines and purine derivatives; Organonitrogen compounds; Primary alcohols; Nucleosides, nucleotides, and analogues; Organooxygen compounds; Fatty amides; Azoles; Carboxylic acid amides; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Secondary carboxylic acid amides; Imidazopyrimidines; Carbonyl compounds; Glycosyl compounds; Glycosylamines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Organooxygen compounds,0.998,Glycosyl compounds,0.505,Glycosylamines,0.735,Carbohydrates and carbohydrate conjugates,0.368,Organic oxygen compounds,1,,,,C24H38N6O5,490.2894,Purine nucleosides,0.224,Amino acids and Peptides,0.367,Pseudoalkaloids (transamidation),0.448,C24H39N6O5+,727.29,2634
,,,,,,,,,,,,,,,,460.2799,,,,,,,,726.11,2637
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.902,Alpha amino acid amides,0.503,"Amino acids, peptides, and analogues",0.917,Organic acids and derivatives,0.995,,,,C57H74N6O6,938.5686,Linear peptides,0.175,Amino acids and Peptides,0.869,Oligopeptides,0.89,C57H75N6O6+,725.64,2639
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Dicarboxylic acids and derivatives; Amino acids and derivatives; Peptides; Alpha amino acid esters; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Methyl esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.513,Peptides,0.513,"Amino acids, peptides, and analogues",0.974,Organic acids and derivatives,0.999,,,,C19H34N2O6,386.2454,Dipeptides,0.493,Amino acids and Peptides,0.888,Small peptides,0.578,C19H33N2O5+,725.4,2640
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.756,Alpha amino acids and derivatives,0.521,"Amino acids, peptides, and analogues",0.77,Organic acids and derivatives,0.998,,,,C27H36N3O6,498.2593,Open-chain polyketides,0.099,Amino acids and Peptides,0.907,Oligopeptides,0.286,C27H37N3O6+,727.16,2641
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.87,N-acyl-alpha amino acids and derivatives,0.527,"Amino acids, peptides, and analogues",0.876,Organic acids and derivatives,0.999,,,,C26H42N2O10,542.2849,Sphingoid bases,0.06,Amino acids and Peptides,0.62,Macrolides,0.098,C26H43N2O10+,725.52,2643
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.73,,,Lipids and lipid-like molecules,0.73,,,,C56H78N2O9,922.5751,Polyene macrolides,0.337,Polyketides,0.346,Macrolides,0.886,C56H79N2O9+,726.83,2644
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.661,Amino acids and derivatives,0.661,"Amino acids, peptides, and analogues",0.67,Organic acids and derivatives,0.999,,,,C23H42N2O8,474.2953,Open-chain polyketides,0.397,Amino acids and Peptides,0.318,Linear polyketides,0.277,C23H43N2O8+,725.63,2645
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Thiazoles; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; 2,4-disubstituted thiazoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Azoles,0.718,"2,4-disubstituted thiazoles",0.533,"2,4-disubstituted thiazoles",0.533,Thiazoles,0.694,Organoheterocyclic compounds,0.963,,,,C31H50N2O10S,642.3192,Polyene macrolides,0.338,Amino acids and Peptides,0.662,Macrolides,0.931,C31H51N2O10S+,726.11,2646
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.781,Amino acids and derivatives,0.781,"Amino acids, peptides, and analogues",0.789,Organic acids and derivatives,0.996,,,,C23H32N6O4,456.2489,Dipeptides,0.142,Amino acids and Peptides,0.861,Small peptides,0.406,C23H33N6O4+,725.39,2648
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.535,,,Benzenoids,0.535,,,,C56H74N2O9,918.5438,Ansa macrolides,0.218,Polyketides,0.311,Macrolides,0.818,C56H75N2O9+,726.59,2650
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.691,,,Prenol lipids,0.691,,,Lipids and lipid-like molecules,0.826,,,,C26H34O3,394.2507,Apocarotenoids (β-),0.178,Terpenoids,0.867,Apocarotenoids,0.223,C26H35O3+,727.87,2651
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.923,Alpha amino acids and derivatives,0.563,"Amino acids, peptides, and analogues",0.929,Organic acids and derivatives,0.998,,,,C24H32N6O4,468.2485,Dipeptides,0.068,Amino acids and Peptides,0.946,Small peptides,0.532,C24H33N6O4+,727.63,2652
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.897,N-acyl amines,0.806,N-acyl amines,0.806,Fatty amides,0.816,Lipids and lipid-like molecules,0.905,,,,C22H38N2O5,410.2795,Open-chain polyketides,0.712,Amino acids and Peptides,0.645,Linear polyketides,0.782,C22H39N2O5+,727.64,2654
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Tertiary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.93,Alpha amino acids and derivatives,0.955,"Amino acids, peptides, and analogues",0.93,Organic acids and derivatives,0.998,,,,C23H38N2O7,454.2694,Antimycins,0.113,Amino acids and Peptides,0.736,Small peptides,0.087,C23H39N2O7+,728.3,2657
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Peptides,0.665,Peptides,0.665,"Amino acids, peptides, and analogues",0.9,Organic acids and derivatives,0.993,,,,C30H53N7O10,671.3868,Lipopeptides,0.798,Amino acids and Peptides,0.918,Oligopeptides,0.981,C30H54N7O10+,728.1,2658
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.794,,,Fatty acid esters,0.606,Fatty acid esters,0.606,Lipids and lipid-like molecules,0.851,,,,C28H47NO7,509.3354,Open-chain polyketides,0.564,Polyketides,0.256,Linear polyketides,0.436,C28H48NO7+,730.69,2661
[M + H3N + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.761,,,Prenol lipids,0.761,,,Lipids and lipid-like molecules,0.902,,,,C28H40O5,509.3346,"Lanostane, Tirucallane and Euphane triterpenoids",0.031,Terpenoids,0.906,Triterpenoids,0.295,C28H44NO5+,730.23,2662
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary alcohols; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.719,Alpha amino acids and derivatives,0.761,"Amino acids, peptides, and analogues",0.72,Organic acids and derivatives,1,,,,C28H47NO7,509.3352,Drimane sesquiterpenoids,0.908,Terpenoids,0.75,Sesquiterpenoids,0.578,C28H46NO6+,730.34,2663
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary alcohols; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.553,Amino acids and derivatives,0.553,"Amino acids, peptides, and analogues",0.551,Organic acids and derivatives,0.999,,,,C28H47NO7,509.335,Drimane sesquiterpenoids,0.928,Terpenoids,0.876,Sesquiterpenoids,0.667,C28H46NO6+,730.34,2665
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.769,Amino acids and derivatives,0.785,Alpha amino acid amides,0.676,"Amino acids, peptides, and analogues",0.808,Organic acids and derivatives,0.723,,,,C24H43N7O5,509.3346,Tripeptides,0.291,Amino acids and Peptides,0.922,Oligopeptides,0.813,C24H43N7NaO5+,730.57,2668
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Alpha amino acid amides; N-acyl-alpha amino acids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.782,Peptides,0.782,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.999,,,,C50H85N7O11,959.6304,Linear peptides,0.458,Amino acids and Peptides,0.974,Oligopeptides,0.997,C50H85N7NaO11+,728.88,2669
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.988,Amino acids and derivatives,0.909,Alpha amino acids and derivatives,0.842,"Amino acids, peptides, and analogues",0.922,Organic acids and derivatives,0.998,,,,C47H83N6O14,955.6004,Lipopeptides,0.237,Amino acids and Peptides,0.742,Oligopeptides,0.96,C47H83N6NaO14+,729.42,2670
,,,,,,,,,,,,,,,,556.2638,,,,,,,,729.78,2676
,,,,,,,,,,,,,,,,550.3611,,,,,,,,729.32,2677
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Diterpenoids; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.752,,,Diterpenoids,0.558,Diterpenoids,0.558,Lipids and lipid-like molecules,0.924,,,,C25H38O5,418.2721,Labdane diterpenoids,0.142,Terpenoids,0.887,Diterpenoids,0.534,C25H39O5+,730.12,2679
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.647,,,Prenol lipids,0.647,,,Lipids and lipid-like molecules,0.819,18Alpha-Glycyrrhetinic Acid,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C26H40O6,448.2826,Open-chain polyketides,0.377,Polyketides,0.506,Linear polyketides,0.296,C26H40NaO6+,732.97,2683
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Macrolides and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Glycosyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Macrolides and analogues,0.606,,,Macrolides and analogues,0.606,,,Phenylpropanoids and polyketides,0.419,,,,C54H87NO13,957.6143,Polyene macrolides,0.391,Polyketides,0.32,Macrolides,0.885,C54H88NO13+,732.05,2685
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Macrolides and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; Trialkylamines; Polyols; Amines; Tertiary amines; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Macrolides and analogues,0.579,,,Macrolides and analogues,0.579,,,Phenylpropanoids and polyketides,0.409,,,,C54H87NO13,957.6144,Open-chain polyketides,0.566,Polyketides,0.899,Macrolides,0.926,C54H87NNaO13+,732.16,2686
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.529,,,Benzene and substituted derivatives,0.529,,,Benzenoids,0.498,,,,C26H34O3,394.2507,Irregular monoterpenoids,0.07,Terpenoids,0.756,Steroids,0.095,C26H35O3+,732.5,2687
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.916,Amino acids and derivatives,0.57,Amino acids and derivatives,0.57,"Amino acids, peptides, and analogues",0.578,Organic acids and derivatives,0.97,,,,C24H30N6O4,466.2336,Dipeptides,0.057,Amino acids and Peptides,0.576,Small peptides,0.115,C24H31N6O4+,733.31,2688
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid esters; Secondary alcohols; Benzenoids; Amines; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.617,,,Benzenoids,0.617,,,,C63H79NO8,977.5817,Isoquinoline alkaloids,0.455,Alkaloids,0.265,Tyrosine alkaloids,0.479,C63H80NO8+,733.55,2690
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.635,,,Benzenoids,0.635,,,,C56H74N2O9,918.5439,Polyene macrolides,0.113,Amino acids and Peptides,0.227,Macrolides,0.826,C56H75N2O9+,732.39,2691
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Monocarboxylic acids and derivatives; Carboxylic acids; Diazines; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.923,Amino acids and derivatives,0.521,Amino acids and derivatives,0.521,"Amino acids, peptides, and analogues",0.524,Organic acids and derivatives,0.966,,,,C24H34N6O5,486.2593,Imidazole alkaloids,0.063,Alkaloids,0.622,Small peptides,0.066,C24H35N6O5+,732.85,2692
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.899,Oligopeptides,0.584,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.999,,,,C46H68N12O8,916.5287,Cyclic peptides,0.776,Amino acids and Peptides,0.995,Oligopeptides,0.992,C46H69N12O8+,733.9,2695
,,,,,,,,,,,,,,,,618.3365,,,,,,,,732.97,2696
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Trialkylamines; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.948,Amino acids and derivatives,0.795,Amino acids and derivatives,0.795,"Amino acids, peptides, and analogues",0.805,Organic acids and derivatives,0.969,,,,C51H87N3O15,981.6121,Open-chain polyketides,0.231,Polyketides,0.454,Oligopeptides,0.446,C51H88N3O15+,734.37,2699
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.726,,,Lipids and lipid-like molecules,0.726,,,,C26H38O6,446.2671,Open-chain polyketides,0.566,Polyketides,0.669,Linear polyketides,0.496,C26H38NaO6+,734.93,2702
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.961,Amino acids and derivatives,0.914,N-acyl-alpha amino acids and derivatives,0.574,"Amino acids, peptides, and analogues",0.923,Organic acids and derivatives,0.971,,,,C22H34N6O4,446.2664,Tripeptides,0.241,Amino acids and Peptides,0.942,Small peptides,0.706,C22H34N6NaO4+,734.71,2703
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.914,Peptides,0.914,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.998,,,,C46H70N12O8,918.5449,Linear peptides,0.501,Amino acids and Peptides,0.991,Oligopeptides,0.994,C46H71N12O8+,735.39,2706
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.909,N-acyl-alpha amino acids,0.585,"Amino acids, peptides, and analogues",0.916,Organic acids and derivatives,0.999,,,,C23H42N2O8,474.295,N-acyl amines,0.078,Fatty acids,0.505,Small peptides,0.104,C23H43N2O8+,734.71,2710
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.972,,,"Bile acids, alcohols and derivatives",0.699,"Bile acids, alcohols and derivatives",0.699,Lipids and lipid-like molecules,0.991,,,,C24H34O4,386.2457,Cholane steroids,0.717,Terpenoids,0.994,Steroids,0.962,C24H33O3+,734.42,2712
,,,,,,,,,,,,,,,,934.5114,,,,,,,,736.06,2718
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.964,Amino acids and derivatives,0.672,Amino acids and derivatives,0.672,"Amino acids, peptides, and analogues",0.688,Organic acids and derivatives,0.975,,,,C24H36N6O4,472.2803,Tripeptides,0.133,Amino acids and Peptides,0.895,Oligopeptides,0.498,C24H35N6O3+,737.54,2722
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.746,Amino acids and derivatives,0.746,"Amino acids, peptides, and analogues",0.757,Organic acids and derivatives,0.996,,,,C24H36N6O4,472.2799,Linear peptides,0.113,Amino acids and Peptides,0.894,Oligopeptides,0.365,C24H37N6O4+,737.54,2723
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Diazines; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.625,,,Benzene and substituted derivatives,0.625,,,Benzenoids,0.727,,,,C24H36N6O4,472.2801,Purine alkaloids,0.032,Amino acids and Peptides,0.476,Pseudoalkaloids (transamidation),0.202,C24H37N6O4+,737.77,2725
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.603,,,Hydroxysteroids,0.545,Hydroxysteroids,0.545,Lipids and lipid-like molecules,0.96,,,,C26H42O6,450.2981,Open-chain polyketides,0.069,Terpenoids,0.893,Sesterterpenoids,0.232,C26H39O4+,738.35,2726
,,,,,,,,,,,,,,,,428.2903,,,,,,,,737.54,2727
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.883,,,Lipids and lipid-like molecules,0.883,,,,C22H30O3,342.2189,Open-chain polyketides,0.087,Terpenoids,0.49,Docosanoids,0.345,C22H29O2+,737.67,2728
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carbonyl compounds; Benzene and substituted derivatives; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.512,,,Benzene and substituted derivatives,0.512,,,Benzenoids,0.431,,,,C26H36O3,396.2665,Ophiobolane sesterterpenoids,0.488,Terpenoids,0.899,Sesterterpenoids,0.362,C26H37O3+,738.11,2729
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Retinoids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.718,,,Retinoids,0.805,Retinoids,0.805,Lipids and lipid-like molecules,0.912,,,,C26H34O2,378.2558,Apocarotenoids (β-),0.351,Terpenoids,0.943,Carotenoids (C40),0.253,C26H35O2+,737.66,2730
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Thiazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; 2,4-disubstituted thiazoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Azoles,0.697,"2,4-disubstituted thiazoles",0.522,"2,4-disubstituted thiazoles",0.522,Thiazoles,0.675,Organoheterocyclic compounds,0.927,,,,C31H50N2O10S,642.3173,Polyene macrolides,0.39,Amino acids and Peptides,0.68,Macrolides,0.9,C31H51N2O10S+,737.54,2737
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.811,N-acyl-alpha amino acids and derivatives,0.523,"Amino acids, peptides, and analogues",0.825,Organic acids and derivatives,0.992,,,,C24H34N6O4,470.2641,Tripeptides,0.125,Amino acids and Peptides,0.945,Small peptides,0.612,C24H35N6O4+,738.69,2738
,,,,,,,,,,,,,,,,554.2482,,,,,,,,736.97,2739
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Serine and derivatives; Leucine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.859,Peptides,0.859,"Amino acids, peptides, and analogues",0.991,Organic acids and derivatives,0.999,,,,C41H72N14O11,936.5529,Linear peptides,0.659,Amino acids and Peptides,0.98,Oligopeptides,0.998,C41H73N14O11+,739.4,2743
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.632,,,Prenol lipids,0.632,,,Lipids and lipid-like molecules,0.899,,,,C24H38O5,464.2756,Monocarbocyclic sesterterpenoids,0.233,Terpenoids,0.705,Sesterterpenoids,0.489,C24H38NaO5+,739.64,2745
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.946,Amino acids and derivatives,0.824,Carbamate esters,0.662,"Amino acids, peptides, and analogues",0.828,Organic acids and derivatives,0.985,,,,C25H36N6O5,500.2747,Open-chain polyketides,0.142,Amino acids and Peptides,0.382,Linear polyketides,0.121,C25H37N6O5+,740.64,2746
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.593,Peptides,0.593,"Amino acids, peptides, and analogues",0.952,Organic acids and derivatives,0.999,,,,C24H32N6O5,484.2439,Tripeptides,0.353,Amino acids and Peptides,0.994,Oligopeptides,0.89,C24H31N6O4+,741.27,2753
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.906,Oligopeptides,0.648,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.999,,,,C46H70N12O9,934.5374,Cyclic peptides,0.705,Amino acids and Peptides,0.995,Oligopeptides,0.995,C46H71N12O9+,740.44,2755
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.682,Amino acids and derivatives,0.59,Amino acids and derivatives,0.59,"Amino acids, peptides, and analogues",0.593,Organic acids and derivatives,0.725,,,,C29H41N5O2,491.3247,Open-chain polyketides,0.032,Alkaloids,0.572,Linear polyketides,0.138,C29H42N5O2+,740.45,2760
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.607,,,Prenol lipids,0.607,,,Lipids and lipid-like molecules,0.863,,,,C26H38O6,446.2667,Open-chain polyketides,0.279,Terpenoids,0.588,Linear polyketides,0.143,C26H38NaO6+,742.38,2761
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Tertiary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Benzenoids,0.533,,,Benzenoids,0.533,,,,C26H38O7,462.2619,Quassinoids,0.044,Polyketides,0.483,Sesquiterpenoids,0.108,C26H38NaO7+,743.13,2763
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Benzoic acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.613,Alpha amino acids and derivatives,0.503,"Amino acids, peptides, and analogues",0.62,Organic acids and derivatives,0.997,,,,C26H36N2O11,552.233,Antimycins,0.11,Amino acids and Peptides,0.867,Macrolides,0.432,C26H37N2O11+,742.67,2765
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Acetamides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.915,Alpha amino acids and derivatives,0.827,"Amino acids, peptides, and analogues",0.92,Organic acids and derivatives,0.997,,,,C26H36N6O4,496.28,Cyclic peptides,0.144,Amino acids and Peptides,0.931,Oligopeptides,0.388,C26H37N6O4+,742.44,2766
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.667,Peptides,0.667,"Amino acids, peptides, and analogues",0.982,Organic acids and derivatives,0.999,,,,C44H70N10O11,914.5134,Cyclic peptides,0.613,Amino acids and Peptides,0.959,Oligopeptides,0.994,C44H71N10O11+,742.09,2768
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Imidazopyrimidines,0.384,6-aminopurines,0.663,6-alkylaminopurines,0.594,Purines and purine derivatives,0.498,Organoheterocyclic compounds,0.998,,,,C23H34N6O,410.2798,Purine alkaloids,0.919,Alkaloids,0.967,Pseudoalkaloids (transamidation),0.957,C23H35N6O+,743.95,2769
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.507,,,Fatty Acyls,0.507,,,Lipids and lipid-like molecules,0.776,,,,C56H76N2O9,920.5586,Polyene macrolides,0.285,Polyketides,0.303,Macrolides,0.905,C56H77N2O9+,743.13,2770
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; N-acylpyrrolidines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.895,Oligopeptides,0.6,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.999,"""(2R,3R,6R)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid""","""InChI=1S/C27H46O5/c1-15(5-8-22(29)16(2)25(31)32)19-6-7-20-24-21(10-12-27(19,20)4)26(3)11-9-18(28)13-17(26)14-23(24)30/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16-,17+,18-,19-,20+,21+,22-,23-,24?,26+,27-/m1/s1""",C[C@@H]([C@H]1CC[C@]2([H])[C@]1(C)CC[C@@]3([H])C2[C@H](O)C[C@@]4([H])[C@]3(C)CC[C@@H](O)C4)CC[C@@H](O)[C@@H](C)C(O)=O,C43H75N11O11,921.5616,Cyclic peptides,0.552,Amino acids and Peptides,0.983,Oligopeptides,0.998,C43H76N11O11+,742.94,2774
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Monoalkylamines; Hydroxy acids and derivatives; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; N-acyl-alpha amino acids; Alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.969,N-acyl-alpha amino acids,0.563,"Amino acids, peptides, and analogues",0.971,Organic acids and derivatives,0.999,,,,C23H40N2O8,472.2796,Sphingoid bases,0.424,Fatty acids,0.803,Spingolipids,0.46,C23H41N2O8+,743.02,2776
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Benzenoids,0.551,,,Benzenoids,0.551,,,,C22H28O3,340.2038,Apocarotenoids (β-),0.042,Terpenoids,0.68,Diterpenoids,0.17,C22H29O3+,745.64,2778
,,,,,,,,,,,,,,,,412.2606,,,,,,,,745.34,2779
[M + H]+,Organic compounds; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,,,,,Benzenoids,0.998,,,Benzenoids,0.998,,,,C15H10,190.0783,Anthraquinones and anthrones,0.055,Polyketides,0.138,Polycyclic aromatic polyketides,0.027,C15H11+,745.79,2781
[M + H]+,Organic compounds; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,,,,,Benzenoids,0.998,,,Benzenoids,0.998,,,,C13H8,164.0628,Anthraquinones and anthrones,0.384,Polyketides,0.343,Polycyclic aromatic polyketides,0.194,C13H9+,746.02,2784
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Benzoic acids and derivatives; Benzamides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.838,N-acyl-alpha amino acids and derivatives,0.6,"Amino acids, peptides, and analogues",0.842,Organic acids and derivatives,0.994,,,,C23H40N2O7,456.2842,Dipeptides,0.299,Amino acids and Peptides,0.905,Small peptides,0.233,C23H41N2O7+,745.91,2785
,,,,,,,,,,,,,,,,1831.0682,,,,,,,,745.68,2788
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.845,N-acyl-alpha amino acids and derivatives,0.718,"Amino acids, peptides, and analogues",0.863,Organic acids and derivatives,0.999,,,,C22H38N2O6,426.2749,Cyclic peptides,0.072,Amino acids and Peptides,0.841,Oligopeptides,0.407,C22H39N2O6+,746.37,2790
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.582,,,Steroids and steroid derivatives,0.582,,,Lipids and lipid-like molecules,0.915,,,,C26H40O6,448.2826,Monocarbocyclic sesterterpenoids,0.182,Terpenoids,0.601,Sesterterpenoids,0.396,C26H37O4+,744.63,2791
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.838,Alpha amino acids and derivatives,0.651,"Amino acids, peptides, and analogues",0.85,Organic acids and derivatives,0.978,,,,C25H36N6O5,500.2745,Dipeptides,0.098,Amino acids and Peptides,0.925,Oligopeptides,0.635,C25H37N6O5+,745.04,2792
[M + H]+,Organic compounds; Naphthalenes; Phenanthrenes and derivatives; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,Phenanthrenes and derivatives,0.653,,,Phenanthrenes and derivatives,0.653,,,Benzenoids,0.998,,,,C15H12,192.094,Bisnaphthalenes,0.02,Terpenoids,0.178,Naphthalenes,0.042,C15H13+,744.83,2795
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.733,,,Benzene and substituted derivatives,0.733,,,Benzenoids,0.894,,,,C24H36N6O5,488.2747,Purine alkaloids,0.082,Amino acids and Peptides,0.421,Pseudoalkaloids (transamidation),0.173,C24H37N6O5+,746.38,2799
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.733,Dialkylarylamines,0.623,Amines,0.958,Organic nitrogen compounds,1,,,,C24H36N6O5,488.275,Purine alkaloids,0.034,Alkaloids,0.298,Pseudoalkaloids (transamidation),0.164,C24H37N6O5+,747.55,2801
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.786,Alpha amino acids and derivatives,0.637,"Amino acids, peptides, and analogues",0.8,Organic acids and derivatives,0.985,,,,C24H30N6O4,466.2333,Dipeptides,0.1,Amino acids and Peptides,0.901,Oligopeptides,0.401,C24H31N6O4+,747.08,2802
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.64,Dialkylarylamines,0.696,Amines,0.875,Organic nitrogen compounds,1,,,,C24H34N6O4,470.2645,Purine alkaloids,0.04,Alkaloids,0.486,Pseudoalkaloids (transamidation),0.063,C24H35N6O4+,749.76,2805
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Hydroxamic acids; Monoalkylamines; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.668,Peptides,0.668,"Amino acids, peptides, and analogues",0.935,Organic acids and derivatives,0.999,,,,C21H37N5O7,471.2676,Linear peptides,0.422,Amino acids and Peptides,0.886,Oligopeptides,0.534,C21H38N5O7+,747.64,2808
[M + H]+,Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Hydroxy fatty acids; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Thioethers; Carboxylic acids; Thia fatty acids; Secondary carboxylic acid amides; Carbonyl compounds; Heterocyclic fatty acids; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.941,Heterocyclic fatty acids,0.552,Heterocyclic fatty acids,0.552,Fatty acids and conjugates,0.945,Lipids and lipid-like molecules,0.911,,,,C18H38N2O5S,394.2505,Imidazole alkaloids,0.194,Fatty acids,0.795,Histidine alkaloids,0.193,C18H39N2O5S+,748.2,2809
,,,,,,,,,,,,,,,,934.5104,,,,,,,,749.88,2810
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.496,Dialkylarylamines,0.513,Amines,0.832,Organic nitrogen compounds,1,,,,C24H32N6O4,468.2491,Purine alkaloids,0.032,Alkaloids,0.296,Pseudoalkaloids (transamidation),0.07,C24H33N6O4+,748.37,2812
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.778,,,Hydroxysteroids,0.584,Hydroxysteroids,0.584,Lipids and lipid-like molecules,0.93,,,,C26H36O5,468.2494,Ergostane steroids,0.054,Terpenoids,0.903,Steroids,0.22,C26H36NaO5+,748.48,2813
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.598,Aminopyrimidines and derivatives,0.633,Aminopyrimidines and derivatives,0.633,Pyrimidines and pyrimidine derivatives,0.534,Organoheterocyclic compounds,0.996,,,,C24H32N6O4,468.2488,Purine alkaloids,0.062,Alkaloids,0.395,Pseudoalkaloids (transamidation),0.128,C24H33N6O4+,749.65,2814
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.938,Amino acids and derivatives,0.547,Amino acids and derivatives,0.547,"Amino acids, peptides, and analogues",0.553,Organic acids and derivatives,0.969,,,,C24H32N6O4,468.2483,Purine alkaloids,0.027,Alkaloids,0.487,Pseudoalkaloids (transamidation),0.092,C24H33N6O4+,747.98,2815
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.516,Peptides,0.516,"Amino acids, peptides, and analogues",0.952,Organic acids and derivatives,0.997,,,,C48H70N6O7,842.5307,Cyclic peptides,0.38,Amino acids and Peptides,0.971,Oligopeptides,0.981,C48H69N6O6+,749.11,2820
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.891,Amino acids and derivatives,0.616,Amino acids and derivatives,0.616,"Amino acids, peptides, and analogues",0.62,Organic acids and derivatives,0.893,,,,C23H34N6O2,426.2749,Purine alkaloids,0.015,Alkaloids,0.518,Pseudoalkaloids (transamidation),0.026,C23H35N6O2+,749.18,2821
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.878,Alpha amino acids and derivatives,0.809,"Amino acids, peptides, and analogues",0.898,Organic acids and derivatives,0.996,,,,C48H72N6O7,844.5437,Lipopeptides,0.127,Amino acids and Peptides,0.902,Oligopeptides,0.962,C48H71N6O6+,749.26,2822
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carbonyl compounds; 3-oxosteroids; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.906,3-oxosteroids,0.81,3-oxosteroids,0.81,Oxosteroids,0.816,Lipids and lipid-like molecules,0.964,,,,C26H32O3,392.2351,Androstane steroids,0.218,Terpenoids,0.985,Steroids,0.851,C26H33O3+,748.33,2823
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Organic 1,3-dipolar compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.988,Peptides,0.631,Peptides,0.631,"Amino acids, peptides, and analogues",0.967,Organic acids and derivatives,0.997,,,,C27H36N6O6,540.2693,Cyclic peptides,0.28,Amino acids and Peptides,0.978,Oligopeptides,0.909,C27H37N6O6+,748.49,2824
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.731,,,Oxosteroids,0.606,Oxosteroids,0.606,Lipids and lipid-like molecules,0.778,,,,C22H26O3,338.1882,Androstane steroids,0.3,Terpenoids,0.89,Steroids,0.557,C22H27O3+,748.6,2826
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.935,Oligopeptides,0.62,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H68N12O8,916.5286,Cyclic peptides,0.691,Amino acids and Peptides,0.995,Oligopeptides,0.992,C46H69N12O8+,747.56,2827
,,,,,,,,,,,,,,,,1831.0702,,,,,,,,749.08,2829
[M + H]+,"Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.904,Amino acids and derivatives,0.661,Alpha amino acid amides,0.56,"Amino acids, peptides, and analogues",0.679,Organic acids and derivatives,0.973,,,,C19H42N2O5S,410.2799,N-acyl amines,0.457,Fatty acids,0.825,Fatty amides,0.252,C19H43N2O5S+,750.11,2834
,,,,,,,,,,,,,,,,916.5032,,,,,,,,749.82,2835
[M + H]+,Organic compounds; Anthracenes; Naphthalenes; Phenanthrenes and derivatives; Benzopyrenes; Chrysenes; Pyrenes; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,Pyrenes,0.603,,,Benzopyrenes,0.543,Benzopyrenes,0.543,Benzenoids,0.999,,,,C16H9,201.0706,Bisnaphthalenes,0.068,Polyketides,0.336,Naphthalenes,0.071,C16H10+,748.72,2836
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.9,Peptides,0.9,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.998,,,,C46H70N12O8,918.5444,Linear peptides,0.49,Amino acids and Peptides,0.99,Oligopeptides,0.993,C46H71N12O8+,750.34,2837
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Organic nitro compounds; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Organic 1,3-dipolar compounds; Allyl-type 1,3-dipolar organic compounds; Propargyl-type 1,3-dipolar organic compounds; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.745,Amino acids and derivatives,0.634,Amino acids and derivatives,0.634,"Amino acids, peptides, and analogues",0.637,Organic acids and derivatives,0.756,,,,C24H30N6O4,466.2336,Dipeptides,0.117,Amino acids and Peptides,0.77,Small peptides,0.585,C24H31N6O4+,747.67,2839
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.946,Amino acids and derivatives,0.806,Alpha amino acids and derivatives,0.649,"Amino acids, peptides, and analogues",0.815,Organic acids and derivatives,0.98,,,,C18H28N6O3,376.2237,Dipeptides,0.453,Amino acids and Peptides,0.924,Small peptides,0.769,C18H29N6O3+,751.09,2846
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.516,,,Prenol lipids,0.516,,,Lipids and lipid-like molecules,0.794,,,,C26H36O4,412.2615,Monocarbocyclic sesterterpenoids,0.037,Terpenoids,0.944,Triterpenoids,0.236,C26H37O4+,752.32,2847
[M + H]+,Organic compounds; Organoheterocyclic compounds; Thiazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.814,,,Thiazoles,0.744,Thiazoles,0.744,Organoheterocyclic compounds,0.998,,,,C28H36N6O2S2,552.2329,Cyclamides,0.829,Amino acids and Peptides,0.994,Oligopeptides,0.985,C28H37N6O2S2+,752.15,2848
,,,,,,,,,,,,,,,,502.2546,,,,,,,,750.51,2849
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxamic acids; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Primary amines; Alkanolamines; Acetohydroxamic acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.878,Amino acids and derivatives,0.597,Amino acids and derivatives,0.597,"Amino acids, peptides, and analogues",0.609,Organic acids and derivatives,0.942,,,,C18H42N4O10,474.2886,Polyamines,0.502,Carbohydrates,0.555,Ornithine alkaloids,0.434,C18H43N4O10+,752.5,2851
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; Monosaccharides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; Polyols; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,1,Glycosyl compounds,0.806,Glycosyl compounds,0.806,Carbohydrates and carbohydrate conjugates,0.861,Organic oxygen compounds,1,,,,C30H46N6O10,650.327,Cyclic peptides,0.146,Amino acids and Peptides,0.752,Oligopeptides,0.473,C30H47N6O10+,750.77,2852
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.561,Peptides,0.561,"Amino acids, peptides, and analogues",0.985,Organic acids and derivatives,0.999,,,,C27H32N6O6,536.2381,Dipeptides,0.258,Amino acids and Peptides,0.977,Small peptides,0.848,C27H33N6O6+,752.45,2854
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.558,,,Fatty Acyls,0.558,,,Lipids and lipid-like molecules,0.816,,,,C56H76N2O9,920.5582,Polyene macrolides,0.213,Polyketides,0.395,Macrolides,0.87,C56H77N2O9+,751.5,2855
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic 1,3-dipolar compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Peptides,0.681,Peptides,0.681,"Amino acids, peptides, and analogues",0.936,Organic acids and derivatives,0.997,,,,C27H32N6O6,536.2383,Cyclic peptides,0.363,Amino acids and Peptides,0.986,Oligopeptides,0.95,C27H33N6O6+,751.8,2856
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.9,Carbamate esters,0.642,"Amino acids, peptides, and analogues",0.905,Organic acids and derivatives,0.997,,,,C24H32N6O5,484.2436,Dipeptides,0.09,Amino acids and Peptides,0.914,Oligopeptides,0.502,C24H33N6O5+,753.28,2858
,,,,,,,,,,,,,,,,456.2848,,,,,,,,754.22,2859
[M + H]+,Organic compounds; Organoheterocyclic compounds; Tetrazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.919,,,Benzene and substituted derivatives,0.919,,,Benzenoids,0.944,,,,C24H34N6O5,486.259,Purine nucleosides,0.095,Amino acids and Peptides,0.608,Oligopeptides,0.211,C24H35N6O5+,754.57,2862
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.66,,,Benzene and substituted derivatives,0.66,,,Benzenoids,0.795,,,,C23H32N6O4,456.2491,Purine alkaloids,0.059,Alkaloids,0.737,Pseudoalkaloids (transamidation),0.14,C23H33N6O4+,753.27,2863
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Biphenyls and derivatives; Tetrazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbamate esters; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.942,Amino acids and derivatives,0.788,Carbamate esters,0.705,"Amino acids, peptides, and analogues",0.792,Organic acids and derivatives,0.967,,,,C24H30N6O5,482.2279,Dipeptides,0.09,Amino acids and Peptides,0.497,Small peptides,0.403,C24H31N6O5+,753.86,2865
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Purines and purine derivatives; Organonitrogen compounds; Primary alcohols; Nucleosides, nucleotides, and analogues; Organooxygen compounds; Azoles; Purine nucleosides; Aminopyrimidines and derivatives; Diazines; Pentoses; Monosaccharides; Secondary alcohols; Imidazopyrimidines; Glycosyl compounds; Glycosylamines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Fatty Acyls; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Purine nucleosides,0.674,,,Purine nucleosides,0.674,,,"Nucleosides, nucleotides, and analogues",0.737,,,,C21H30N6O5,446.2281,Purine nucleosides,0.507,Amino acids and Peptides,0.534,Pseudoalkaloids (transamidation),0.415,C21H31N6O5+,754.1,2866
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.544,,,Prenol lipids,0.544,,,Lipids and lipid-like molecules,0.9,,,,C27H42O5,446.3011,Open-chain polyketides,0.301,Polyketides,0.389,Linear polyketides,0.227,C27H43O5+,753.28,2867
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Diazines; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.6,,,Pyrimidines and pyrimidine derivatives,0.596,Pyrimidines and pyrimidine derivatives,0.596,Organoheterocyclic compounds,0.992,,,,C23H34N6O3,442.2693,Purine alkaloids,0.038,Alkaloids,0.377,Oligopeptides,0.1,C23H35N6O3+,754.58,2868
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.91,Alpha amino acids and derivatives,0.895,"Amino acids, peptides, and analogues",0.911,Organic acids and derivatives,0.998,,,,C26H40N2O10,540.2695,Antimycins,0.073,Amino acids and Peptides,0.587,Macrolides,0.293,C26H41N2O10+,754.82,2869
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.732,,,Fatty Acyls,0.732,,,Lipids and lipid-like molecules,0.895,,,,C23H38O5,416.2543,Open-chain polyketides,0.167,Terpenoids,0.382,Diterpenoids,0.173,C23H38NaO5+,755.67,2873
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.721,Alpha amino acids and derivatives,0.504,"Amino acids, peptides, and analogues",0.721,Organic acids and derivatives,0.995,,,,C28H45NO6,491.3245,Open-chain polyketides,0.137,Alkaloids,0.169,Pseudoalkaloids (transamidation),0.312,C28H46NO6+,755.28,2875
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.81,,,Lipids and lipid-like molecules,0.81,,,,C26H36O5,428.2555,Open-chain polyketides,0.142,Terpenoids,0.393,Triterpenoids,0.214,C26H37O5+,755.54,2876
[M + H]+,"Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Thioethers; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Alpha amino acids; Amines; Primary amines; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.955,Peptides,0.554,Peptides,0.554,"Amino acids, peptides, and analogues",0.84,Organic acids and derivatives,0.986,,,,C18H40N2O5S,396.2651,Tripeptides,0.11,Fatty acids,0.751,Small peptides,0.248,C18H41N2O5S+,755.72,2877
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Thiazoles; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.787,Alpha amino acids and derivatives,0.738,"Amino acids, peptides, and analogues",0.813,Organic acids and derivatives,0.998,,,,C22H42N4O8S2,554.2444,Cyclamides,0.303,Amino acids and Peptides,0.845,Oligopeptides,0.995,C22H43N4O8S2+,756.61,2878
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.939,N-acyl-alpha amino acids,0.545,"Amino acids, peptides, and analogues",0.943,Organic acids and derivatives,1,,,,C23H40N2O8,472.2797,Dipeptides,0.071,Amino acids and Peptides,0.503,Small peptides,0.164,C23H41N2O8+,759.12,2880
,,,,,,,,,,,,,,,,490.2903,,,,,,,,759.11,2883
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.612,,,Steroids and steroid derivatives,0.612,,,Lipids and lipid-like molecules,0.836,,,,C26H38O4,414.2768,Ergostane steroids,0.043,Terpenoids,0.936,Steroids,0.299,C26H39O4+,756.97,2884
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; N-acyl-alpha amino acids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.903,N-acyl-alpha amino acids,0.578,"Amino acids, peptides, and analogues",0.914,Organic acids and derivatives,0.997,,,,C29H46N6O7,590.3422,Linear peptides,0.128,Amino acids and Peptides,0.978,Oligopeptides,0.846,C29H47N6O7+,757.46,2887
[M + Na]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; 3-hydroxysteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.902,"Hydroxy bile acids, alcohols and derivatives",0.592,"Hydroxy bile acids, alcohols and derivatives",0.592,"Bile acids, alcohols and derivatives",0.573,Lipids and lipid-like molecules,0.983,,,,C26H42O5,456.285,Cholane steroids,0.282,Terpenoids,0.972,Steroids,0.824,C26H42NaO5+,758.4,2888
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Piperazines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Carbonyl compounds; Benzene and substituted derivatives; Diazinanes; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.98,Amino acids and derivatives,0.869,Carbamate esters,0.502,"Amino acids, peptides, and analogues",0.873,Organic acids and derivatives,0.996,,,,C24H30N6O4,466.2334,Dipeptides,0.059,Amino acids and Peptides,0.807,Small peptides,0.401,C24H31N6O4+,757.21,2889
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.809,Amino acids and derivatives,0.646,Alpha amino acids and derivatives,0.511,"Amino acids, peptides, and analogues",0.66,Organic acids and derivatives,0.866,,,,C24H32N6O5,484.2435,Dipeptides,0.065,Amino acids and Peptides,0.809,Oligopeptides,0.438,C24H33N6O5+,759.23,2890
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.511,,,Azoles,0.511,,,Organoheterocyclic compounds,0.983,,,,C25H36N6O5,500.2745,Cyclamides,0.069,Amino acids and Peptides,0.904,Oligopeptides,0.317,C25H37N6O5+,757.81,2891
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.501,,,Fatty Acyls,0.501,,,Lipids and lipid-like molecules,0.808,,,,C25H38O5,440.2538,Open-chain polyketides,0.035,Terpenoids,0.563,Diterpenoids,0.183,C25H38NaO5+,758.04,2892
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Organophosphorus compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.891,Amino acids and derivatives,0.566,Amino acids and derivatives,0.566,"Amino acids, peptides, and analogues",0.567,Organic acids and derivatives,0.987,,,,C25H37N4O7P,536.2383,Dipeptides,0.075,Amino acids and Peptides,0.682,Linear polyketides,0.251,C25H38N4O7P+,758.88,2893
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.915,N-acyl-alpha amino acids and derivatives,0.532,"Amino acids, peptides, and analogues",0.92,Organic acids and derivatives,1,,,,C23H36N2O8,468.2485,Dipeptides,0.08,Amino acids and Peptides,0.748,Small peptides,0.159,C23H37N2O8+,758.88,2894
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Hydroxamic acids; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Peptides,0.559,Peptides,0.559,"Amino acids, peptides, and analogues",0.975,Organic acids and derivatives,0.99,,,,C24H40N6O4,476.3089,Tripeptides,0.389,Amino acids and Peptides,0.993,Oligopeptides,0.8,C24H41N6O4+,759.2,2896
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.839,N-acyl-alpha amino acids and derivatives,0.734,"Amino acids, peptides, and analogues",0.859,Organic acids and derivatives,0.993,,,,C24H38N6O4,474.294,Tripeptides,0.606,Amino acids and Peptides,0.953,Oligopeptides,0.635,C24H39N6O4+,760.79,2898
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.873,Oligopeptides,0.555,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.999,,,,C46H70N12O8,918.5432,Cyclic peptides,0.539,Amino acids and Peptides,0.976,Oligopeptides,0.995,C46H71N12O8+,760.17,2903
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.841,Amino acids and derivatives,0.696,Amino acids and derivatives,0.696,"Amino acids, peptides, and analogues",0.712,Organic acids and derivatives,0.859,,,,C24H32N6O4,468.2486,Dipeptides,0.042,Amino acids and Peptides,0.895,Oligopeptides,0.365,C24H33N6O4+,762.07,2906
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.605,,,Benzene and substituted derivatives,0.605,,,Benzenoids,0.608,,,,C24H32N6O4,468.2489,Cyclamides,0.067,Amino acids and Peptides,0.753,Oligopeptides,0.331,C24H33N6O4+,762.43,2908
[M + H]+,Organic compounds; Organoheterocyclic compounds; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Carboxylic acids and derivatives,0.907,Carboxylic acid amides,0.745,Secondary carboxylic acid amides,0.728,Carboxylic acid derivatives,0.79,Organic acids and derivatives,0.984,,,,C24H34N3O3,412.2613,Open-chain polyketides,0.225,Amino acids and Peptides,0.544,Linear polyketides,0.476,C24H35N3O3+,763.45,2909
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.642,,,Lipids and lipid-like molecules,0.642,,,,C26H34O4,410.2459,Open-chain polyketides,0.05,Terpenoids,0.56,Linear polyketides,0.093,C26H35O4+,761.95,2910
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Thiazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.951,,,"Amino acids, peptides, and analogues",0.504,"Amino acids, peptides, and analogues",0.504,Organic acids and derivatives,0.988,,,,C18H36N2O5S,392.2351,Cyclamides,0.087,Amino acids and Peptides,0.918,Oligopeptides,0.419,C18H37N2O5S+,762,2911
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Organic 1,3-dipolar compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.879,Oligopeptides,0.656,"Amino acids, peptides, and analogues",0.984,Organic acids and derivatives,0.998,,,,C27H38N6O6,542.2849,Linear peptides,0.86,Amino acids and Peptides,0.996,Oligopeptides,0.962,C27H39N6O6+,763.5,2913
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.674,,,Benzenoids,0.674,,,,C56H72N2O9,916.5284,Polyene macrolides,0.115,Terpenoids,0.299,Macrolides,0.838,C56H73N2O9+,762.66,2914
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Peptides,0.535,Peptides,0.535,"Amino acids, peptides, and analogues",0.893,Organic acids and derivatives,0.998,,,,C22H38N4O6S,486.2509,Linear peptides,0.229,Amino acids and Peptides,0.901,Oligopeptides,0.939,C22H39N4O6S+,762.9,2916
,,,,,,,,,,,,,,,,488.2747,,,,,,,,761.71,2923
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Alcohols and polyols; Thiolanes; Biotin and derivatives; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Monoalkylamines; Thioethers; Carbonyl compounds; Amines; Primary amines; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Biotin and derivatives,0.521,,,Biotin and derivatives,0.521,,,Organoheterocyclic compounds,0.963,,,,C19H38N6O3S,430.2714,Imidazole alkaloids,0.193,Carbohydrates,0.44,Histidine alkaloids,0.193,C19H39N6O3S+,761.72,2924
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.656,,,Lipids and lipid-like molecules,0.656,,,,C28H38O6,470.2646,Open-chain polyketides,0.248,Polyketides,0.637,Linear polyketides,0.377,C28H39O6+,763.5,2926
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.542,,,Fatty Acyls,0.542,,,Lipids and lipid-like molecules,0.885,,,,C24H38O5,428.2555,Open-chain polyketides,0.203,Terpenoids,0.446,Cyclic polyketides,0.114,C24H38NaO5+,762.95,2930
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Hydroxy acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.932,3-hydroxysteroids,0.582,3-hydroxysteroids,0.582,Hydroxysteroids,0.886,Lipids and lipid-like molecules,0.995,,,,C26H42O6,450.2977,Fusidane triterpenoids,0.135,Terpenoids,0.999,Triterpenoids,0.873,C26H42NaO6+,764.58,2932
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Diterpenoids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.56,,,Diterpenoids,0.525,Diterpenoids,0.525,Lipids and lipid-like molecules,0.891,,,,C26H42O6,450.2969,Open-chain polyketides,0.705,Polyketides,0.762,Linear polyketides,0.616,C26H42NaO6+,765.38,2933
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Neutral glycosphingolipids; Simple glycosylceramides; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Glycosphingolipids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Glycosyl-N-acylsphingosines; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sphingolipids,0.716,Neutral glycosphingolipids,0.636,Glycosyl-N-acylsphingosines,0.636,Glycosphingolipids,0.609,Lipids and lipid-like molecules,0.935,,,,C56H78N2O9,922.5719,Neutral glycosphingolipids,0.544,Fatty acids,0.846,Spingolipids,0.783,C56H79N2O9+,764.9,2935
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.507,,,Prenol lipids,0.507,,,Lipids and lipid-like molecules,0.887,,,,C26H42O5,456.2852,Open-chain polyketides,0.495,Polyketides,0.596,Linear polyketides,0.318,C26H42NaO5+,765.28,2937
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.741,Peptides,0.741,"Amino acids, peptides, and analogues",0.978,Organic acids and derivatives,1,,,,C24H34N6O5,486.2585,Tripeptides,0.661,Amino acids and Peptides,0.994,Oligopeptides,0.853,C24H35N6O5+,764.71,2938
[M + H]+,Organic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Monosaccharides; Secondary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.997,Monosaccharides,0.516,Monosaccharides,0.516,Carbohydrates and carbohydrate conjugates,0.719,Organic oxygen compounds,0.999,,,,C20H43NO11,473.2824,Sphingoid bases,0.66,Fatty acids,0.872,Spingolipids,0.569,C20H44NO11+,765.86,2941
,,,,,,,,,,,,,,,,287.1525,,,,,,,,766.02,2942
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.556,Dialkylarylamines,0.505,Amines,0.913,Organic nitrogen compounds,1,,,,C25H36N6O4,484.2795,Purine nucleosides,0.248,Amino acids and Peptides,0.333,Nucleosides,0.207,C25H37N6O4+,764.46,2944
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.516,,,Benzenoids,0.516,,,,C56H76N2O9,920.5585,Polyene macrolides,0.093,Terpenoids,0.267,Macrolides,0.798,C56H77N2O9+,767.11,2945
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Monocarboxylic acids and derivatives; Carboxylic acids; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.955,Amino acids and derivatives,0.882,Amino acids,0.6,"Amino acids, peptides, and analogues",0.883,Organic acids and derivatives,0.965,,,,C23H32N6O3,440.254,Aminoacids,0.073,Amino acids and Peptides,0.386,Small peptides,0.438,C23H33N6O3+,765.29,2946
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.822,,,Hydroxysteroids,0.66,Hydroxysteroids,0.66,Lipids and lipid-like molecules,0.966,,,,C26H36O6,444.251,"Lanostane, Tirucallane and Euphane triterpenoids",0.028,Terpenoids,0.966,Triterpenoids,0.502,C26H36NaO6+,767.31,2947
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.639,,,Prenol lipids,0.639,,,Lipids and lipid-like molecules,0.918,,,,C26H36O6,444.2512,Open-chain polyketides,0.085,Terpenoids,0.777,Triterpenoids,0.217,C26H36NaO6+,767.55,2949
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Dihydroxy bile acids, alcohols and derivatives; Carboxylic acid derivatives; N-acyl amines; Glycinated bile acids and derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; Polyols; N-acyl-alpha amino acids; 3-hydroxysteroids; 7-hydroxysteroids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Steroids and steroid derivatives,0.986,Glycinated bile acids and derivatives,0.941,Glycinated bile acids and derivatives,0.941,"Bile acids, alcohols and derivatives",0.985,Lipids and lipid-like molecules,0.988,,,,C32H44N2O6,552.3189,Cholane steroids,0.846,Terpenoids,0.868,Steroids,0.857,C32H45N2O6+,767.78,2950
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.683,Peptides,0.683,"Amino acids, peptides, and analogues",0.985,Organic acids and derivatives,0.999,,,,C45H66N8O12,910.4821,Linear peptides,0.332,Amino acids and Peptides,0.934,Oligopeptides,0.994,C45H67N8O12+,767.19,2952
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.924,Amino acids and derivatives,0.764,Amino acids and derivatives,0.764,"Amino acids, peptides, and analogues",0.775,Organic acids and derivatives,0.974,,,,C25H34N6O5,498.2591,Open-chain polyketides,0.042,Amino acids and Peptides,0.858,Oligopeptides,0.265,C25H35N6O5+,766.84,2953
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.666,,,Prenol lipids,0.666,,,Lipids and lipid-like molecules,0.917,,,,C26H42O5,456.2849,Open-chain polyketides,0.259,Terpenoids,0.732,Linear polyketides,0.155,C26H42NaO5+,767.31,2954
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.903,Oligopeptides,0.596,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.999,,,,C46H66N12O8,914.5129,Cyclic peptides,0.71,Amino acids and Peptides,0.993,Oligopeptides,0.993,C46H67N12O8+,768.02,2955
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxamic acids; Monoalkylamines; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Alpha hydroxy acids and derivatives; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Acetohydroxamic acids; Fatty Acyls; Acetamides; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.867,N-acyl-alpha amino acids and derivatives,0.694,"Amino acids, peptides, and analogues",0.879,Organic acids and derivatives,0.999,,,,C21H40N4O12,540.2661,Linear peptides,0.443,Amino acids and Peptides,0.579,Oligopeptides,0.377,C21H41N4O12+,765.53,2956
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Diazines; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.967,Amino acids and derivatives,0.863,Carbamate esters,0.651,"Amino acids, peptides, and analogues",0.87,Organic acids and derivatives,0.979,,,,C24H32N6O4,468.2484,Dipeptides,0.034,Amino acids and Peptides,0.777,Small peptides,0.198,C24H33N6O4+,768.37,2957
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Tetrazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Phenyltetrazoles and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-acyl-alpha amino acids; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.96,Amino acids and derivatives,0.833,N-acyl-alpha amino acids,0.573,"Amino acids, peptides, and analogues",0.843,Organic acids and derivatives,0.987,,,,C27H32N6O6,536.2382,Dipeptides,0.205,Amino acids and Peptides,0.939,Oligopeptides,0.608,C27H33N6O6+,766.16,2961
[M + Na]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; 3-hydroxysteroids; 7-hydroxysteroids; 12-hydroxysteroids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.967,"Hydroxy bile acids, alcohols and derivatives",0.904,"Hydroxy bile acids, alcohols and derivatives",0.904,"Bile acids, alcohols and derivatives",0.916,Lipids and lipid-like molecules,0.995,,,,C26H44O5,458.3005,Cholane steroids,0.902,Terpenoids,0.949,Steroids,0.964,C26H44NaO5+,767.43,2962
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.904,Alpha amino acids and derivatives,0.747,"Amino acids, peptides, and analogues",0.915,Organic acids and derivatives,0.999,,,,C24H32N3O5,442.2339,Cyclic peptides,0.219,Amino acids and Peptides,0.988,Oligopeptides,0.545,C24H33N3O5+,767.66,2964
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.92,Oligopeptides,0.694,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,0.999,,,,C46H64N12O8,912.4979,Cyclic peptides,0.758,Amino acids and Peptides,0.991,Oligopeptides,0.995,C46H65N12O8+,766.56,2965
,,,,,,,,,,,,,,,,486.2399,,,,,,,,768.49,2968
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Retinoids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.633,,,Retinoids,0.508,Retinoids,0.508,Lipids and lipid-like molecules,0.802,,,,C26H34O3,394.2511,Apocarotenoids (β-),0.134,Terpenoids,0.854,Sesterterpenoids,0.203,C26H35O3+,768.95,2970
,,,,,,,,,,,,,,,,524.2771,,,,,,,,769.31,2972
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.628,,,Prenol lipids,0.628,,,Lipids and lipid-like molecules,0.892,,,,C26H34O3,394.251,Apocarotenoids (β-),0.228,Terpenoids,0.941,Apocarotenoids,0.182,C26H35O3+,769.54,2973
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.603,,,Benzene and substituted derivatives,0.603,,,Benzenoids,0.56,,,,C22H28O3,340.2039,Apocarotenoids (β-),0.075,Terpenoids,0.778,Apocarotenoids,0.148,C22H29O3+,769.66,2976
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Ketones; Prenol lipids; Organooxygen compounds; Retinoids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Alpha,beta-unsaturated carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Prenol lipids,0.655,,,Retinoids,0.521,Retinoids,0.521,Lipids and lipid-like molecules,0.942,,,,C26H32O2,376.2401,Apocarotenoids (β-),0.279,Terpenoids,0.991,Carotenoids (C40),0.499,C26H33O2+,769.8,2977
,,,,,,,,,,,,,,,,934.5115,,,,,,,,770.23,2978
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.944,Amino acids and derivatives,0.636,Amino acids and derivatives,0.636,"Amino acids, peptides, and analogues",0.639,Organic acids and derivatives,0.981,,,,C26H36N6O4,496.2797,Dipeptides,0.058,Amino acids and Peptides,0.492,Tryptophan alkaloids,0.145,C26H37N6O4+,770.24,2979
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.786,N-acyl-alpha amino acids and derivatives,0.634,"Amino acids, peptides, and analogues",0.793,Organic acids and derivatives,1,,,,C23H38N2O8,470.2646,Open-chain polyketides,0.074,Amino acids and Peptides,0.616,Linear polyketides,0.072,C23H39N2O8+,770.7,2981
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.656,,,Prenol lipids,0.656,,,Lipids and lipid-like molecules,0.83,,,,C26H38O5,470.2648,Open-chain polyketides,0.157,Terpenoids,0.575,Linear polyketides,0.114,C26H38NaO5+,771.76,2982
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.988,Peptides,0.635,Peptides,0.635,"Amino acids, peptides, and analogues",0.939,Organic acids and derivatives,0.995,,,,C21H37N5O7,471.2679,Linear peptides,0.783,Amino acids and Peptides,0.857,Oligopeptides,0.803,C21H38N5O7+,771.38,2986
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.572,,,Prenol lipids,0.572,,,Lipids and lipid-like molecules,0.771,,,,C26H36O4,412.2617,Scalarane sesterterpenoids,0.044,Terpenoids,0.948,Sesterterpenoids,0.25,C26H37O4+,772.81,2987
,,,,,,,,,,,,,,,,916.5009,,,,,,,,771.19,2995
,,,,,,,,,,,,,,,,1382.7924,,,,,,,,771.65,2996
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.977,Peptides,0.508,Peptides,0.508,"Amino acids, peptides, and analogues",0.917,Organic acids and derivatives,0.991,,,,C19H38N8O6,474.2926,Linear peptides,0.524,Amino acids and Peptides,0.861,Oligopeptides,0.746,C19H39N8O6+,773.03,3002
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Trialkylamines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.607,,,Benzene and substituted derivatives,0.607,,,Benzenoids,0.708,,,,C19H30N6O2,374.2437,Purine alkaloids,0.163,Alkaloids,0.672,Pseudoalkaloids (transamidation),0.301,C19H31N6O2+,773.18,3003
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Cyclic alcohols and derivatives; Hydroxysteroids; Disaccharides; Triterpenoids; Acetals; Secondary alcohols; Fatty acyl glycosides; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Fatty Acyls; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.856,,,Triterpenoids,0.745,Triterpenoids,0.745,Lipids and lipid-like molecules,0.96,DoxazosinMesylate,"InChI=1S/C23H25N5O5.CH4O3S/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)",COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC.CS(=O)(=O)O,C43H86O20,922.5716,Dammarane and Protostane triterpenoids,0.342,Terpenoids,0.816,Triterpenoids,0.801,C43H87O20+,773.16,3004
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.951,Amino acids and derivatives,0.69,Alpha amino acids and derivatives,0.508,"Amino acids, peptides, and analogues",0.708,Organic acids and derivatives,0.958,,,,C24H38N6O4,474.2938,Tripeptides,0.153,Amino acids and Peptides,0.718,Oligopeptides,0.408,C24H39N6O4+,773.4,3007
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.762,,,Prenol lipids,0.762,,,Lipids and lipid-like molecules,0.94,,,,C26H40O5,454.2688,Open-chain polyketides,0.065,Terpenoids,0.82,Triterpenoids,0.158,C26H40NaO5+,772.12,3009
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Phenols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Anilides; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Polyols; Benzenoids; Fatty Acyls; Acetamides; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.799,,,Anilides,0.52,Anilides,0.52,Benzenoids,0.892,,,,C26H40N2O10,540.2687,Cyanogenic glycosides,0.058,Amino acids and Peptides,0.766,Tyrosine alkaloids,0.365,C26H41N2O10+,772.34,3011
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.64,,,Prenol lipids,0.64,,,Lipids and lipid-like molecules,0.783,,,,C26H36O6,444.2515,Open-chain polyketides,0.094,Terpenoids,0.713,Sesquiterpenoids,0.188,C26H36NaO6+,774.81,3014
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Pyrans; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Pyranones and derivatives; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Pyrans,0.544,,,Pyranones and derivatives,0.534,Pyranones and derivatives,0.534,Organoheterocyclic compounds,0.856,,,,C26H36O6,444.2511,Open-chain polyketides,0.712,Polyketides,0.771,Linear polyketides,0.794,C26H36NaO6+,775.04,3017
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.713,N-acyl-alpha amino acids and derivatives,0.596,"Amino acids, peptides, and analogues",0.729,Organic acids and derivatives,0.996,,,,C24H34N3O5,444.2511,Open-chain polyketides,0.14,Amino acids and Peptides,0.842,Oligopeptides,0.417,C24H33N3O4+,775.15,3018
[M + H]+,Organic compounds; Organoheterocyclic compounds; Quinolones and derivatives; Pyridines and derivatives; Organonitrogen compounds; Organooxygen compounds; Quinolines and derivatives; Hydroquinolines; Hydroquinolones; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Quinolines and derivatives,0.57,Hydroquinolones,0.516,Hydroquinolones,0.516,Quinolones and derivatives,0.591,Organoheterocyclic compounds,0.964,,,,C17H23NO2,273.1727,Quinoline alkaloids,0.144,Alkaloids,0.847,Coumarins,0.09,C17H24NO2+,775.24,3019
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Hydroxy acids and derivatives; Oxosteroids; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Steroid acids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.856,,,Triterpenoids,0.542,Triterpenoids,0.542,Lipids and lipid-like molecules,0.986,,,,C29H40O8,516.2706,"Lanostane, Tirucallane and Euphane triterpenoids",0.108,Terpenoids,0.996,Triterpenoids,0.946,C29H40NaO8+,774.88,3020
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Phenols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Chemical entities,Phenols,0.683,,,1-hydroxy-2-unsubstituted benzenoids,0.597,1-hydroxy-2-unsubstituted benzenoids,0.597,Benzenoids,0.856,,,,C24H34O5,402.2409,Cannabinoids,0.024,Terpenoids,0.549,Steroids,0.269,C24H31O3+,775.45,3021
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; N-acylpyrrolidines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.91,Oligopeptides,0.696,"Amino acids, peptides, and analogues",0.997,Organic acids and derivatives,1,,,,C50H70N6O10,914.5136,Cyclic peptides,0.595,Amino acids and Peptides,0.992,Oligopeptides,0.995,C50H71N6O10+,774.23,3022
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.716,Amino acids and derivatives,0.716,"Amino acids, peptides, and analogues",0.729,Organic acids and derivatives,0.994,,,,C24H36N6O4,472.2796,Linear peptides,0.184,Amino acids and Peptides,0.919,Oligopeptides,0.46,C24H37N6O4+,774.69,3024
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.904,N-acyl-alpha amino acids and derivatives,0.63,"Amino acids, peptides, and analogues",0.915,Organic acids and derivatives,0.997,,,,C24H36N6O4,472.2797,Linear peptides,0.239,Amino acids and Peptides,0.987,Small peptides,0.805,C24H37N6O4+,774.11,3025
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.939,Peptides,0.657,Peptides,0.657,"Amino acids, peptides, and analogues",0.944,Organic acids and derivatives,0.977,,,,C24H38N6O7,522.28,Cyclic peptides,0.361,Amino acids and Peptides,0.955,Oligopeptides,0.893,C24H39N6O7+,776.83,3027
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.714,Alpha amino acids and derivatives,0.518,"Amino acids, peptides, and analogues",0.722,Organic acids and derivatives,0.997,,,,C23H36N2O8,468.2486,Open-chain polyketides,0.136,Amino acids and Peptides,0.849,Linear polyketides,0.277,C23H37N2O8+,774.23,3028
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.927,Oligopeptides,0.634,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H66N12O8,914.5132,Cyclic peptides,0.634,Amino acids and Peptides,0.993,Oligopeptides,0.996,C46H67N12O8+,776.22,3031
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.721,,,Prenol lipids,0.721,,,Lipids and lipid-like molecules,0.911,,,,C26H42O5,456.2857,Open-chain polyketides,0.261,Terpenoids,0.771,Linear polyketides,0.22,C26H42NaO5+,775.45,3033
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.967,Amino acids and derivatives,0.919,N-acyl-alpha amino acids and derivatives,0.567,"Amino acids, peptides, and analogues",0.927,Organic acids and derivatives,0.987,,,,C25H36N6O5,500.2741,Tripeptides,0.105,Amino acids and Peptides,0.948,Oligopeptides,0.812,C25H37N6O5+,774.89,3034
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.931,Carbamate esters,0.825,"Amino acids, peptides, and analogues",0.935,Organic acids and derivatives,0.995,,,,C24H32N6O4,468.2482,Dipeptides,0.127,Amino acids and Peptides,0.915,Small peptides,0.617,C24H33N6O4+,777.54,3038
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Diazines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.941,Amino acids and derivatives,0.681,Amino acids and derivatives,0.681,"Amino acids, peptides, and analogues",0.687,Organic acids and derivatives,0.976,,,,C24H30N6O4,466.2329,Dipeptides,0.021,Amino acids and Peptides,0.439,Small peptides,0.111,C24H31N6O4+,778.25,3043
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.95,Amino acids and derivatives,0.857,Alpha amino acids and derivatives,0.637,"Amino acids, peptides, and analogues",0.863,Organic acids and derivatives,0.982,,,,C25H34N6O5,498.2591,Dipeptides,0.054,Amino acids and Peptides,0.728,Oligopeptides,0.223,C25H35N6O5+,778.96,3046
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.712,,,Lipids and lipid-like molecules,0.712,,,,C24H34N3O3,412.2616,Open-chain polyketides,0.182,Amino acids and Peptides,0.564,Linear polyketides,0.309,C24H35N3O3+,779.09,3047
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; N-acyl-alpha amino acids; Methyl-branched fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.899,N-acyl-alpha amino acids,0.586,"Amino acids, peptides, and analogues",0.905,Organic acids and derivatives,1,,,,C23H38N2O8,470.2646,Open-chain polyketides,0.103,Amino acids and Peptides,0.583,Small peptides,0.145,C23H37N2O7+,781.75,3048
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.804,Alpha amino acids and derivatives,0.666,"Amino acids, peptides, and analogues",0.812,Organic acids and derivatives,1,,,,C23H38N2O8,470.265,Polyamines,0.068,Amino acids and Peptides,0.469,Linear polyketides,0.073,C23H37N2O7+,780.01,3049
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.934,Amino acids and derivatives,0.593,Amino acids and derivatives,0.593,"Amino acids, peptides, and analogues",0.602,Organic acids and derivatives,0.964,,,,C24H34N6O4,470.2643,Cyclamides,0.041,Amino acids and Peptides,0.735,Small peptides,0.246,C24H35N6O4+,779.9,3052
[M + H]+,Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.79,,,Benzene and substituted derivatives,0.79,,,Benzenoids,0.899,,,,C26H34O3,394.2509,Flavanones,0.032,Terpenoids,0.34,Sesquiterpenoids,0.08,C26H35O3+,781.77,3055
,,,,,,,,,,,,,,,,916.5007,,,,,,,,779.78,3057
,,,,,,,,,,,,,,,,1382.7924,,,,,,,,780.59,3058
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.702,Alpha amino acids and derivatives,0.691,"Amino acids, peptides, and analogues",0.702,Organic acids and derivatives,0.994,,,,C26H38N2O10,538.2533,Antimycins,0.188,Amino acids and Peptides,0.769,Macrolides,0.566,C26H39N2O10+,781.16,3059
,,,,,,,,,,,,,,,,934.5083,,,,,,,,780.01,3060
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Organooxygen compounds; Azoles; Benzene and substituted derivatives; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.52,,,Benzene and substituted derivatives,0.52,,,Benzenoids,0.472,,,,C20H26N3O2,340.2037,Open-chain polyketides,0.044,Alkaloids,0.294,Linear polyketides,0.113,C20H27N3O2+,781.41,3063
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.714,,,Prenol lipids,0.714,,,Lipids and lipid-like molecules,0.87,,,,C39H46O7,626.3226,"Lanostane, Tirucallane and Euphane triterpenoids",0.136,Terpenoids,0.663,Triterpenoids,0.417,C39H47O7+,780.36,3064
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Monoalkylamines; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.766,Peptides,0.766,"Amino acids, peptides, and analogues",0.952,Organic acids and derivatives,0.996,,,,C21H37N5O7,471.2679,Linear peptides,0.659,Amino acids and Peptides,0.897,Oligopeptides,0.764,C21H38N5O7+,779.98,3065
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Peptides,0.52,Peptides,0.52,"Amino acids, peptides, and analogues",0.897,Organic acids and derivatives,0.99,,,,C17H35N11O5,473.2812,Linear peptides,0.505,Amino acids and Peptides,0.977,Oligopeptides,0.821,C17H36N11O5+,780.13,3068
[M + H]+,Organic compounds; Phenanthrenes and derivatives; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,Phenanthrenes and derivatives,0.513,,,Phenanthrenes and derivatives,0.513,,,Benzenoids,0.996,,,,C14H9,177.0706,Anthraquinones and anthrones,0.057,Polyketides,0.084,Fatty acyls,0.034,C14H10+,780.96,3070
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.787,,,Hydroxysteroids,0.545,Hydroxysteroids,0.545,Lipids and lipid-like molecules,0.952,,,,C26H36O6,444.2513,Ergostane steroids,0.029,Terpenoids,0.976,Triterpenoids,0.347,C26H36NaO6+,782.82,3071
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.529,,,Prenol lipids,0.529,,,Lipids and lipid-like molecules,0.872,,,,C26H36O6,444.2509,Ergostane steroids,0.044,Terpenoids,0.893,Steroids,0.15,C26H36NaO6+,783.64,3072
,,,,,,,,,,,,,,,,444.2504,,,,,,,,783.76,3073
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Tertiary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.983,Amino acids and derivatives,0.614,Amino acids and derivatives,0.614,"Amino acids, peptides, and analogues",0.634,Organic acids and derivatives,0.994,,,,C59H75N3O6,921.5602,Lipopeptides,0.395,Amino acids and Peptides,0.35,Oligopeptides,0.952,C59H76N3O6+,781.99,3076
,,,,,,,,,,,,,,,,518.3328,,,,,,,,782.43,3077
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.985,Amino acids and derivatives,0.77,N-acyl-alpha amino acids,0.52,"Amino acids, peptides, and analogues",0.778,Organic acids and derivatives,0.995,,,,C23H40N2O8,472.2795,Open-chain polyketides,0.082,Amino acids and Peptides,0.677,Linear polyketides,0.126,C23H41N2O8+,783.29,3078
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Neutral glycosphingolipids; Simple glycosylceramides; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Fatty acyl glycosides; Carbonyl compounds; Oxanes; Glycosyl compounds; Alkyl glycosides; O-glycosyl compounds; Polyols; Glycosphingolipids; Fatty acyl glycosides of mono- and disaccharides; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Glycosyl-N-acylsphingosines; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sphingolipids,0.936,Neutral glycosphingolipids,0.937,Glycosyl-N-acylsphingosines,0.933,Glycosphingolipids,0.963,Lipids and lipid-like molecules,0.99,,,,C44H75NO8,745.5472,Neutral glycosphingolipids,0.997,Fatty acids,1,Spingolipids,1,C44H76NO8+,782.23,3084
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Trialkylamines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Aralkylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.903,Amino acids and derivatives,0.823,Amino acids and derivatives,0.823,"Amino acids, peptides, and analogues",0.826,Organic acids and derivatives,0.945,,,,C19H30N6O2,374.2414,Pyrroloindole alkaloids,0.129,Amino acids and Peptides,0.546,Small peptides,0.3,C19H31N6O2+,782.81,3085
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.656,Amino acids and derivatives,0.656,"Amino acids, peptides, and analogues",0.671,Organic acids and derivatives,0.998,,,,C24H34N3O4,428.2561,Open-chain polyketides,0.192,Amino acids and Peptides,0.966,Linear polyketides,0.796,C24H35N3O4+,783.21,3089
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.574,,,Steroids and steroid derivatives,0.574,,,Lipids and lipid-like molecules,0.885,,,,C26H40O5,432.288,Ergostane steroids,0.02,Terpenoids,0.921,Triterpenoids,0.322,C26H40NaO5+,786.23,3092
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; 1,3,5-triazines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Benzene and substituted derivatives,0.692,,,Benzene and substituted derivatives,0.692,,,Benzenoids,0.598,,,,C22H36N6O3,432.2869,Tripeptides,0.057,Amino acids and Peptides,0.409,Small peptides,0.304,C22H35N6O2+,786,3093
[M - H4O2 + H]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; 3-hydroxysteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.88,"Hydroxy bile acids, alcohols and derivatives",0.514,"Hydroxy bile acids, alcohols and derivatives",0.514,"Bile acids, alcohols and derivatives",0.523,Lipids and lipid-like molecules,0.972,,,,C26H40O5,432.2875,Cholane steroids,0.215,Terpenoids,0.977,Steroids,0.673,C26H37O3+,786,3094
,,,,,,,,,,,,,,,,432.2873,,,,,,,,786.12,3096
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organooxygen compounds; Retinoids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.625,,,Retinoids,0.757,Retinoids,0.757,Lipids and lipid-like molecules,0.904,,,,C26H34O2,378.2559,Apocarotenoids (β-),0.37,Terpenoids,0.961,Carotenoids (C40),0.418,C26H35O2+,786.48,3097
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyridines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Trialkylamines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.907,Amino acids and derivatives,0.638,Amino acids and derivatives,0.638,"Amino acids, peptides, and analogues",0.647,Organic acids and derivatives,0.968,,,,C54H74N6O4S,902.549,Linear peptides,0.064,Alkaloids,0.645,Tryptophan alkaloids,0.268,C54H75N6O4S+,785.76,3098
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Guanidines; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Benzene and substituted derivatives,0.737,,,Benzene and substituted derivatives,0.737,,,Benzenoids,0.79,,,,C24H34N6O4,470.2637,Prostaglandins,0.03,Amino acids and Peptides,0.653,Pseudoalkaloids (transamidation),0.213,C24H35N6O4+,787.3,3105
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.973,Amino acids and derivatives,0.752,Amino acids and derivatives,0.752,"Amino acids, peptides, and analogues",0.76,Organic acids and derivatives,0.989,,,,C25H38N6O4,486.2954,Open-chain polyketides,0.228,Amino acids and Peptides,0.681,Linear polyketides,0.336,C25H39N6O4+,787.54,3113
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary alcohols; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.813,Amino acids and derivatives,0.813,"Amino acids, peptides, and analogues",0.82,Organic acids and derivatives,0.999,,,,C23H36N2O8,468.2477,Open-chain polyketides,0.077,Amino acids and Peptides,0.477,Macrolides,0.136,C23H37N2O8+,787.81,3114
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.92,Amino acids and derivatives,0.85,Alpha amino acids and derivatives,0.813,"Amino acids, peptides, and analogues",0.863,Organic acids and derivatives,0.966,,,,C25H42N8O4,518.3325,Tripeptides,0.288,Amino acids and Peptides,0.885,Oligopeptides,0.473,C25H43N8O4+,788.13,3115
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.755,Peptides,0.755,"Amino acids, peptides, and analogues",0.981,Organic acids and derivatives,0.999,,,,C50H72N6O10,916.5282,Cyclic peptides,0.461,Amino acids and Peptides,0.898,Oligopeptides,0.923,C50H73N6O10+,788.61,3117
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.983,Amino acids and derivatives,0.808,Amino acids and derivatives,0.808,"Amino acids, peptides, and analogues",0.815,Organic acids and derivatives,0.996,,,,C27H38N6O5,526.29,Tripeptides,0.039,Amino acids and Peptides,0.759,Oligopeptides,0.36,C27H39N6O5+,787.07,3118
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.643,,,Lipids and lipid-like molecules,0.643,,,,C26H38O6,446.2668,Open-chain polyketides,0.796,Polyketides,0.829,Linear polyketides,0.721,C26H38NaO6+,789.1,3123
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.518,Amino acids and derivatives,0.62,Alpha amino acids and derivatives,0.557,"Amino acids, peptides, and analogues",0.649,Organic acids and derivatives,0.734,,,,C24H36N6O6,504.2707,Tripeptides,0.098,Amino acids and Peptides,0.88,Oligopeptides,0.74,C24H37N6O6+,789.7,3125
,,,,,,,,,,,,,,,,608.3123,,,,,,,,789.36,3128
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.979,Amino acids and derivatives,0.84,Alpha amino acids and derivatives,0.532,"Amino acids, peptides, and analogues",0.85,Organic acids and derivatives,0.994,,,,C24H36N6O4,472.2796,Dipeptides,0.088,Amino acids and Peptides,0.931,Small peptides,0.494,C24H37N6O4+,790.52,3135
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.522,,,Prenol lipids,0.522,,,Lipids and lipid-like molecules,0.823,,,,C24H36O5,444.251,Open-chain polyketides,0.075,Terpenoids,0.795,Diterpenoids,0.128,C24H36NaO5+,793.09,3139
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.823,Alpha amino acids and derivatives,0.684,"Amino acids, peptides, and analogues",0.835,Organic acids and derivatives,0.998,,,,C24H34N3O5,444.2513,Cyclic peptides,0.072,Amino acids and Peptides,0.942,Oligopeptides,0.371,C24H34N3NaO5+,792.86,3140
[M + Na]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy fatty acids; Hydroxy acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; 3-hydroxysteroids; Steroid acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.832,"Hydroxy bile acids, alcohols and derivatives",0.537,"Hydroxy bile acids, alcohols and derivatives",0.537,"Bile acids, alcohols and derivatives",0.549,Lipids and lipid-like molecules,0.986,,,,C26H42O6,450.2975,"Lanostane, Tirucallane and Euphane triterpenoids",0.376,Terpenoids,0.964,Triterpenoids,0.659,C26H42NaO6+,793.62,3141
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Peptides,0.687,Peptides,0.687,"Amino acids, peptides, and analogues",0.925,Organic acids and derivatives,0.996,,,,C27H38N6O5,526.2899,Cyclic peptides,0.29,Amino acids and Peptides,0.989,Oligopeptides,0.723,C27H39N6O5+,792.74,3142
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.971,Amino acids and derivatives,0.909,Carbamate esters,0.906,"Amino acids, peptides, and analogues",0.909,Organic acids and derivatives,0.986,,,,C23H30N6O3,438.2383,Aminoacids,0.02,Alkaloids,0.442,Small peptides,0.086,C23H31N6O3+,792.86,3143
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Indoles and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Indoles; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; 3-alkylindoles; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.924,Oligopeptides,0.634,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H66N12O8,914.5133,Cyclic peptides,0.729,Amino acids and Peptides,0.994,Oligopeptides,0.995,C46H67N12O8+,793.93,3148
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.97,Alpha amino acids and derivatives,0.975,"Amino acids, peptides, and analogues",0.97,Organic acids and derivatives,1,,,,C23H38N2O7,454.2667,Dipeptides,0.061,Amino acids and Peptides,0.893,Small peptides,0.238,C23H39N2O7+,792.98,3150
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.601,,,Lipids and lipid-like molecules,0.601,,,,C26H38O6,446.267,Open-chain polyketides,0.7,Polyketides,0.856,Linear polyketides,0.701,C26H38NaO6+,794.88,3151
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.823,,,Lipids and lipid-like molecules,0.823,,,,C26H38O6,446.2668,Open-chain polyketides,0.162,Terpenoids,0.481,Sesterterpenoids,0.145,C26H35O4+,795.74,3153
[M + K]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Organic sulfuric acids and derivatives; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Sulfuric acid esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.545,,,Lipids and lipid-like molecules,0.545,,,,C23H42O6S,446.2689,Open-chain polyketides,0.742,Polyketides,0.671,Macrolides,0.453,C23H42KO6S+,795.11,3154
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,1,Alkyl aryl ethers,0.542,Alkyl aryl ethers,0.542,Ethers,0.558,Organic oxygen compounds,1,,,,C21H29NO4,359.2105,Isoindole alkaloids,0.277,Alkaloids,0.884,Pseudoalkaloids (transamidation),0.686,C21H30NO4+,794.51,3155
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.76,3-hydroxysteroids,0.54,3-hydroxysteroids,0.54,Hydroxysteroids,0.713,Lipids and lipid-like molecules,0.968,,,,C26H42O5,456.2833,"Lanostane, Tirucallane and Euphane triterpenoids",0.105,Terpenoids,0.934,Triterpenoids,0.48,C26H42NaO5+,794.04,3157
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.982,Amino acids and derivatives,0.927,Carbamate esters,0.883,"Amino acids, peptides, and analogues",0.931,Organic acids and derivatives,0.995,,,,C24H34N6O4,470.2639,Dipeptides,0.022,Amino acids and Peptides,0.627,Small peptides,0.105,C24H35N6O4+,795.49,3160
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.501,,,Benzene and substituted derivatives,0.501,,,Benzenoids,0.464,,,,C16H28N6O2,336.2278,Menthane monoterpenoids,0.168,Alkaloids,0.401,Sesquiterpenoids,0.073,C16H29N6O2+,793.26,3161
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.582,,,Fatty Acyls,0.582,,,Lipids and lipid-like molecules,0.835,,,,C25H42O5,444.2853,Open-chain polyketides,0.365,Terpenoids,0.492,Linear polyketides,0.168,C25H42NaO5+,793.81,3164
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Imidazoles; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.596,,,Benzenoids,0.596,,,,C25H38N6O4,486.2954,Tripeptides,0.298,Amino acids and Peptides,0.212,Small peptides,0.078,C25H39N6O4+,794.39,3166
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Methyl esters; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.975,Amino acids and derivatives,0.508,Amino acids and derivatives,0.508,"Amino acids, peptides, and analogues",0.509,Organic acids and derivatives,0.994,,,,C24H40N2O8,484.2797,Open-chain polyketides,0.731,Amino acids and Peptides,0.363,Linear polyketides,0.71,C24H41N2O8+,795.53,3167
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.763,,,Lipids and lipid-like molecules,0.763,,,,C24H38O5,428.2556,Open-chain polyketides,0.555,Polyketides,0.669,Linear polyketides,0.419,C24H38NaO5+,797.06,3172
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Organic nitro compounds; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; Primary amines; Organic 1,3-dipolar compounds; Allyl-type 1,3-dipolar organic compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; C-nitro compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Nitroaromatic compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.985,Peptides,0.897,Oligopeptides,0.718,"Amino acids, peptides, and analogues",0.97,Organic acids and derivatives,0.994,,,,C27H36N6O6,540.2692,Tripeptides,0.394,Amino acids and Peptides,0.995,Oligopeptides,0.899,C27H37N6O6+,797.67,3174
[M - H4O2 + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.804,N-acyl-alpha amino acids and derivatives,0.75,"Amino acids, peptides, and analogues",0.829,Organic acids and derivatives,0.999,,,,C24H38N3O5,448.2823,Cyclic peptides,0.167,Amino acids and Peptides,0.893,Oligopeptides,0.313,C24H35N3O3+,799.31,3177
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.629,,,Prenol lipids,0.629,,,Lipids and lipid-like molecules,0.902,,,,C26H40O6,448.2825,Open-chain polyketides,0.431,Terpenoids,0.46,Linear polyketides,0.202,C26H40NaO6+,798.89,3178
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.928,,,Lipids and lipid-like molecules,0.928,,,,C24H40O5,448.2821,Monacolins and Monacolin derivatives,0.082,Terpenoids,0.626,Steroids,0.211,C24H40NaO5+,797.91,3180
,,,,,,,,,,,,,,,,432.2874,,,,,,,,800.02,3181
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.57,,,Prenol lipids,0.57,,,Lipids and lipid-like molecules,0.878,,,,C26H40O5,432.2876,Open-chain polyketides,0.612,Polyketides,0.509,Linear polyketides,0.382,C26H37O3+,799.63,3184
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.643,,,Prenol lipids,0.643,,,Lipids and lipid-like molecules,0.904,,,,C26H40O5,432.288,Open-chain polyketides,0.259,Terpenoids,0.556,Linear polyketides,0.271,C26H40NaO5+,799.88,3185
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Carboxylic acids and derivatives,0.925,,,Dicarboxylic acids and derivatives,0.52,Dicarboxylic acids and derivatives,0.52,Organic acids and derivatives,0.955,,,,C26H36O6,444.2512,Open-chain polyketides,0.202,Terpenoids,0.614,Sesquiterpenoids,0.286,C26H36NaO6+,799.45,3186
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Branched fatty acids; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Dialkyl ethers; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.705,Branched fatty acids,0.528,Branched fatty acids,0.528,Fatty acids and conjugates,0.576,Lipids and lipid-like molecules,0.916,,,,C27H44O6,464.3129,Open-chain polyketides,0.737,Polyketides,0.839,Linear polyketides,0.367,C27H44NaO6+,800.55,3187
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.739,,,Lipids and lipid-like molecules,0.739,,,,C25H36O5,438.2383,Open-chain polyketides,0.124,Terpenoids,0.558,Linear polyketides,0.148,C25H36NaO5+,799.02,3188
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Tertiary amines; N-acylpyrrolidines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.956,Amino acids and derivatives,0.952,Alpha amino acid amides,0.539,"Amino acids, peptides, and analogues",0.957,Organic acids and derivatives,0.979,,,,C46H70N12O6,886.5546,Cyclic peptides,0.121,Amino acids and Peptides,0.603,Oligopeptides,0.626,C46H71N12O6+,800,3190
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.544,,,Prenol lipids,0.544,,,Lipids and lipid-like molecules,0.861,,,,C26H46O5,460.3164,Open-chain polyketides,0.609,Polyketides,0.802,Linear polyketides,0.367,C26H46NaO5+,800,3191
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Carboxylic acids and derivatives,0.897,Carboxylic acid amides,0.743,Secondary carboxylic acid amides,0.587,Carboxylic acid derivatives,0.809,Organic acids and derivatives,0.95,,,,C50H74N6O4S2,886.5192,Cyclamides,0.181,Amino acids and Peptides,0.727,Oligopeptides,0.818,C50H75N6O4S2+,798.53,3192
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Lactams; Indoles and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.787,Oligopeptides,0.542,"Amino acids, peptides, and analogues",0.991,Organic acids and derivatives,0.999,,,,C50H74N6O9,902.5486,Cyclic peptides,0.702,Amino acids and Peptides,0.907,Oligopeptides,0.985,C50H75N6O9+,799.88,3193
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Thioethers; Carboxylic acid esters; Carbonyl compounds; Sulfenyl compounds; Dialkylthioethers; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.588,,,Lipids and lipid-like molecules,0.588,,,,C28H38O5S,486.2434,Androstane steroids,0.173,Terpenoids,0.629,Macrolides,0.318,C28H39O5S+,798.77,3194
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.967,Peptides,0.525,Peptides,0.525,"Amino acids, peptides, and analogues",0.934,Organic acids and derivatives,0.992,,,,C41H70N14O10,918.5418,Cyclic peptides,0.515,Amino acids and Peptides,0.966,Oligopeptides,0.986,C41H71N14O10+,798.9,3196
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.573,,,Prenol lipids,0.573,,,Lipids and lipid-like molecules,0.882,,,,C26H40O5,454.2692,Open-chain polyketides,0.188,Terpenoids,0.724,Sesterterpenoids,0.134,C26H40NaO5+,797.91,3198
,,,,,,,,,,,,,,,,438.2384,,,,,,,,798.65,3199
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Pyrimidines and pyrimidine derivatives; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Benzenoids; Amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.849,Aminopyrimidines and derivatives,0.707,Aminopyrimidines and derivatives,0.707,Pyrimidines and pyrimidine derivatives,0.84,Organoheterocyclic compounds,0.998,,,,C24H32N6O3S,484.224,Purine alkaloids,0.054,Alkaloids,0.642,Pseudoalkaloids (transamidation),0.07,C24H33N6O3S+,801.5,3204
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.55,,,Benzenoids,0.55,,,,C56H72N2O9,916.5279,Ansa macrolides,0.139,Terpenoids,0.361,Macrolides,0.847,C56H73N2O9+,800.12,3205
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.68,,,Prenol lipids,0.68,,,Lipids and lipid-like molecules,0.88,,,,C26H38O5,452.2538,Open-chain polyketides,0.125,Terpenoids,0.609,Linear polyketides,0.078,C26H38NaO5+,802.05,3207
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Diazines; Carbonyl compounds; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.928,Amino acids and derivatives,0.577,Amino acids and derivatives,0.577,"Amino acids, peptides, and analogues",0.583,Organic acids and derivatives,0.962,,,,C24H36N6O4,472.2789,Open-chain polyketides,0.038,Amino acids and Peptides,0.631,Linear polyketides,0.113,C24H37N6O4+,803.58,3216
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.851,Oligopeptides,0.571,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,1,,,,C45H72N8O11,900.5335,Linear peptides,0.406,Amino acids and Peptides,0.977,Oligopeptides,0.934,C45H73N8O11+,802.16,3219
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.98,Amino acids and derivatives,0.893,Carbamate esters,0.797,"Amino acids, peptides, and analogues",0.899,Organic acids and derivatives,0.994,,,,C24H32N6O4,468.2485,Dipeptides,0.041,Amino acids and Peptides,0.869,Oligopeptides,0.318,C24H33N6O4+,801.92,3220
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.877,Oligopeptides,0.629,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.999,,,,C46H66N12O8,914.5128,Cyclic peptides,0.808,Amino acids and Peptides,0.994,Oligopeptides,0.995,C46H67N12O8+,802.87,3221
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Macrolides and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Macrolides and analogues,0.63,,,Macrolides and analogues,0.63,,,Phenylpropanoids and polyketides,0.338,,,,C31H49NO6,531.3558,Open-chain polyketides,0.275,Amino acids and Peptides,0.53,Macrolides,0.563,C31H50NO6+,803.46,3222
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.594,Dialkylarylamines,0.623,Amines,0.955,Organic nitrogen compounds,1,,,,C24H36N6O5,488.2746,Purine nucleosides,0.121,Alkaloids,0.345,Pseudoalkaloids (transamidation),0.177,C24H37N6O5+,805.9,3228
,,,,,,,,,,,,,,,,450.2384,,,,,,,,804.65,3230
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.979,Amino acids and derivatives,0.97,Carbamate esters,0.928,"Amino acids, peptides, and analogues",0.972,Organic acids and derivatives,0.995,,,,C25H32N6O5,496.2435,Dipeptides,0.081,Amino acids and Peptides,0.919,Small peptides,0.262,C25H33N6O5+,804.78,3232
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Ethers; Organonitrogen compounds; Organooxygen compounds; Azoles; Benzenoids; Amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.977,Alkyl aryl ethers,0.615,Alkyl aryl ethers,0.615,Ethers,0.691,Organic oxygen compounds,0.999,,,,C18H28N6O3,376.2226,Purine alkaloids,0.075,Alkaloids,0.684,Pseudoalkaloids (transamidation),0.071,C18H29N6O3+,804.91,3233
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.526,,,Benzene and substituted derivatives,0.526,,,Benzenoids,0.351,,,,C26H40N2O9,524.2746,Open-chain polyketides,0.06,Amino acids and Peptides,0.962,Macrolides,0.456,C26H41N2O9+,805.27,3234
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbamate esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.928,Amino acids and derivatives,0.702,Carbamate esters,0.542,"Amino acids, peptides, and analogues",0.706,Organic acids and derivatives,0.957,,,,C24H32N6O4,468.2488,Cyclamides,0.016,Alkaloids,0.382,Small peptides,0.062,C24H33N6O4+,806.6,3239
[M - H4O2 + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Alcohols and polyols; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Substituted pyrroles; Alpha amino acid amides; Benzenoids; Indoles; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.86,N-acyl-alpha amino acids and derivatives,0.825,"Amino acids, peptides, and analogues",0.873,Organic acids and derivatives,0.996,,,,C24H36N3O5,446.267,Cyclic peptides,0.192,Amino acids and Peptides,0.925,Small peptides,0.408,C24H33N3O3+,806.11,3240
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.751,,,Hydroxysteroids,0.676,Hydroxysteroids,0.676,Lipids and lipid-like molecules,0.947,,,,C26H38O6,446.2671,Scalarane sesterterpenoids,0.056,Terpenoids,0.953,Triterpenoids,0.344,C26H35O4+,806.39,3241
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Styrenes; Benzoic acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Benzoyl derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Benzoic acids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.816,Benzoic acids,0.528,Benzoic acids,0.528,Benzoic acids and derivatives,0.509,Benzenoids,0.863,,,,C26H32O3,392.2348,Cannabinoids,0.359,Terpenoids,0.813,Carotenoids (C40),0.101,C26H33O3+,807.57,3242
,,,,,,,,,,,,,,,,456.2836,,,,,,,,806.12,3243
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.76,Amino acids and derivatives,0.604,Amino acids and derivatives,0.604,"Amino acids, peptides, and analogues",0.611,Organic acids and derivatives,0.768,,,,C24H34N6O4,470.2641,Cyclamides,0.017,Amino acids and Peptides,0.524,Small peptides,0.135,C24H35N6O4+,809.16,3248
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.888,Carbamate esters,0.595,"Amino acids, peptides, and analogues",0.896,Organic acids and derivatives,0.997,,,,C24H34N6O4,470.2647,Dipeptides,0.136,Amino acids and Peptides,0.892,Small peptides,0.354,C24H33N6O3+,807.82,3249
[M - H4O2 + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Thiolanes; Biotin and derivatives; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Thioethers; Thienoimidazolidines; Carbonyl compounds; Amines; Primary amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Biotin and derivatives,0.762,,,Biotin and derivatives,0.762,,,Organoheterocyclic compounds,0.877,,,,C19H40N6O4S,448.2822,Imidazole alkaloids,0.289,Alkaloids,0.532,Histidine alkaloids,0.293,C19H37N6O2S+,809.37,3253
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.644,,,Lipids and lipid-like molecules,0.644,,,,C26H36O6,444.2508,Open-chain polyketides,0.134,Terpenoids,0.455,Linear polyketides,0.214,C26H36NaO6+,808.37,3254
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Tetrazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbamate esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.936,Amino acids and derivatives,0.864,Carbamate esters,0.836,"Amino acids, peptides, and analogues",0.865,Organic acids and derivatives,0.971,,,,C25H38N6O4,486.2952,Purine alkaloids,0.024,Alkaloids,0.495,Small peptides,0.064,C25H39N6O4+,807.33,3255
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.532,,,Fatty Acyls,0.532,,,Lipids and lipid-like molecules,0.73,,,,C56H74N2O9,918.5409,Open-chain polyketides,0.135,Amino acids and Peptides,0.35,Macrolides,0.527,C56H75N2O9+,809.27,3258
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Carboximidamides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.78,Peptides,0.78,"Amino acids, peptides, and analogues",0.952,Organic acids and derivatives,0.999,,,,C21H37N5O7,471.2675,Linear peptides,0.373,Amino acids and Peptides,0.971,Oligopeptides,0.701,C21H38N5O7+,810.01,3260
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.904,,,Triterpenoids,0.671,Triterpenoids,0.671,Lipids and lipid-like molecules,0.982,,,,C26H42O5,456.2849,Ursane and Taraxastane triterpenoids,0.135,Terpenoids,0.991,Triterpenoids,0.942,C26H42NaO5+,807.57,3263
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.576,,,Prenol lipids,0.576,,,Lipids and lipid-like molecules,0.896,,,,C26H44O5,458.3001,Open-chain polyketides,0.427,Polyketides,0.396,Linear polyketides,0.275,C26H44NaO5+,807.33,3264
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.568,Amino acids and derivatives,0.568,"Amino acids, peptides, and analogues",0.566,Organic acids and derivatives,0.982,,,,C26H36N2O9,520.2412,3-Spirotetramic acids,0.049,Amino acids and Peptides,0.575,Pseudoalkaloids (transamidation),0.159,C26H37N2O9+,809.63,3265
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Imidazopyrimidines,0.478,6-aminopurines,0.702,6-alkylaminopurines,0.546,Purines and purine derivatives,0.564,Organoheterocyclic compounds,1,,,,C24H34N6O3,454.269,Purine alkaloids,0.576,Alkaloids,0.957,Pseudoalkaloids (transamidation),0.434,C24H35N6O3+,810.37,3266
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.978,Carbamate esters,0.828,"Amino acids, peptides, and analogues",0.98,Organic acids and derivatives,0.996,,,,C25H32N6O5,496.2436,Dipeptides,0.281,Amino acids and Peptides,0.973,Oligopeptides,0.68,C25H33N6O5+,810.85,3267
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.838,,,Lipids and lipid-like molecules,0.838,,,,C26H40O5,454.2691,Open-chain polyketides,0.395,Polyketides,0.596,Linear polyketides,0.272,C26H40NaO5+,810.73,3269
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.961,Amino acids and derivatives,0.651,Amino acids and derivatives,0.651,"Amino acids, peptides, and analogues",0.658,Organic acids and derivatives,0.978,,,,C54H71N5O8,917.5309,Open-chain polyketides,0.482,Amino acids and Peptides,0.33,Linear polyketides,0.412,C54H72N5O8+,810.73,3270
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Cyclic alcohols and derivatives; Fatty alcohols; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.799,,,Fatty alcohols,0.518,Fatty alcohols,0.518,Lipids and lipid-like molecules,0.981,,,,C26H46O5,460.3161,Cholane steroids,0.097,Fatty acids,0.511,Glycerolipids,0.222,C26H46NaO5+,812.14,3275
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.701,Dialkylarylamines,0.665,Amines,0.891,Organic nitrogen compounds,1,,,,C23H32N6O2,424.2591,Purine alkaloids,0.096,Alkaloids,0.805,Pseudoalkaloids (transamidation),0.316,C23H33N6O2+,813.58,3276
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Imidazopyrimidines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; 6-aminopurines; 6-alkylaminopurines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Imidazopyrimidines,0.694,6-aminopurines,0.754,6-alkylaminopurines,0.527,Purines and purine derivatives,0.75,Organoheterocyclic compounds,0.998,,,,C24H32N6O4,468.2491,Purine alkaloids,0.259,Alkaloids,0.608,Pseudoalkaloids (transamidation),0.248,C24H33N6O4+,811.67,3277
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Benzenoids; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.67,Dialkylarylamines,0.748,Amines,0.845,Organic nitrogen compounds,1,,,,C24H32N6O4,468.2488,Purine alkaloids,0.023,Amino acids and Peptides,0.405,Pseudoalkaloids (transamidation),0.046,C24H33N6O4+,814.53,3283
[M + K]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.598,,,Fatty Acyls,0.598,,,Lipids and lipid-like molecules,0.787,,,,C23H42O6S,446.2706,Open-chain polyketides,0.227,Polyketides,0.552,Macrolides,0.764,C23H42KO6S+,814.38,3286
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.66,,,Lipids and lipid-like molecules,0.66,,,,C24H36N3O5,446.2669,Open-chain polyketides,0.242,Amino acids and Peptides,0.625,Linear polyketides,0.288,C24H33N3O3+,813.09,3287
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.906,Amino acids and derivatives,0.73,Alpha amino acids and derivatives,0.531,"Amino acids, peptides, and analogues",0.754,Organic acids and derivatives,0.942,,,,C25H38N6O5,502.2914,Tripeptides,0.232,Amino acids and Peptides,0.944,Oligopeptides,0.739,C25H37N6O4+,813.03,3288
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Substituted pyrroles; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.599,,,Indoles and derivatives,0.599,,,Organoheterocyclic compounds,0.986,,,,C24H30N3O2,392.2347,Open-chain polyketides,0.05,Amino acids and Peptides,0.338,Linear polyketides,0.297,C24H31N3O2+,813.94,3289
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.592,,,Benzene and substituted derivatives,0.592,,,Benzenoids,0.62,,,,C25H32O2,364.2403,Ophiobolane sesterterpenoids,0.06,Terpenoids,0.902,Steroids,0.256,C25H33O2+,815.43,3300
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.739,,,Benzenoids,0.739,,,,C49H74N2O13,898.5189,Terpenoid alkaloids,0.238,Polyketides,0.395,Macrolides,0.728,C49H75N2O13+,813.2,3303
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.719,,,Lipids and lipid-like molecules,0.719,,,,C26H38O5,452.2544,Open-chain polyketides,0.582,Polyketides,0.725,Linear polyketides,0.611,C26H38NaO5+,813.93,3307
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.929,Amino acids and derivatives,0.515,Amino acids and derivatives,0.515,"Amino acids, peptides, and analogues",0.513,Organic acids and derivatives,0.974,,,,C35H41NO8,603.2825,Cytochalasan alkaloids,0.165,Polyketides,0.382,Macrolides,0.713,C35H42NO8+,813.99,3308
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.975,Amino acids and derivatives,0.881,Alpha amino acids and derivatives,0.809,"Amino acids, peptides, and analogues",0.895,Organic acids and derivatives,0.993,,,,C24H30N6O4,466.2331,Cyclic peptides,0.398,Amino acids and Peptides,0.981,Oligopeptides,0.915,C24H31N6O4+,813.22,3311
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.955,N-acyl-alpha amino acids and derivatives,0.57,"Amino acids, peptides, and analogues",0.96,Organic acids and derivatives,0.999,,,,C24H34N6O4,470.2638,Tripeptides,0.186,Amino acids and Peptides,0.994,Small peptides,0.814,C24H35N6O4+,814.46,3312
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.759,,,Lipids and lipid-like molecules,0.759,,,,C26H38O5,452.2541,Open-chain polyketides,0.181,Terpenoids,0.62,Triterpenoids,0.182,C26H38NaO5+,814.05,3313
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Methylcarbamates; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.949,Methylcarbamates,0.533,"Amino acids, peptides, and analogues",0.954,Organic acids and derivatives,0.997,,,,C25H36N6O4,484.2798,Open-chain polyketides,0.026,Amino acids and Peptides,0.852,Oligopeptides,0.238,C25H37N6O4+,815.02,3315
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.84,Peptides,0.84,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.998,,,,C46H68N12O7,900.533,Cyclic peptides,0.557,Amino acids and Peptides,0.988,Oligopeptides,0.993,C46H69N12O7+,816.81,3317
,,,,,,,,,,,,,,,,496.2434,,,,,,,,816.57,3319
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Purines and purine derivatives; Xanthines; Organonitrogen compounds; Organooxygen compounds; Azoles; Purinones; Aminopyrimidines and derivatives; Diazines; Imidazopyrimidines; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Imidazopyrimidines,0.822,Xanthines,0.581,Xanthines,0.581,Purines and purine derivatives,0.821,Organoheterocyclic compounds,0.979,,,,C16H28N6O2,336.2276,Purine alkaloids,0.803,Alkaloids,0.853,Pseudoalkaloids (transamidation),0.612,C16H29N6O2+,817.53,3320
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.983,Amino acids and derivatives,0.689,Amino acids and derivatives,0.689,"Amino acids, peptides, and analogues",0.711,Organic acids and derivatives,0.994,,,,C24H34N3O4,428.2563,Open-chain polyketides,0.327,Amino acids and Peptides,0.933,Oligopeptides,0.526,C24H35N3O4+,816.08,3322
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.807,Amino acids and derivatives,0.543,Amino acids and derivatives,0.543,"Amino acids, peptides, and analogues",0.549,Organic acids and derivatives,0.849,Lobariolcarboxylic acid (Lobarin),"InChI=1S/C25H30O9/c1-4-6-8-9-15-20(23(28)29)17(26)13-18(27)22(15)33-19-12-14(32-3)11-16-21(19)24(30)34-25(16,31)10-7-5-2/h11-13,26-27,31H,4-10H2,1-3H3,(H,28,29)",OC(C(OC1=CC(OC)=CC2=C1C(OC2(O)CCCC)=O)=C3CCCCC)=CC(O)=C3C(O)=O,C24H34N6O4,470.2643,Aminoacids,0.066,Amino acids and Peptides,0.785,Small peptides,0.425,C24H35N6O4+,818.48,3324
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Anisoles; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Organic oxides; Methoxybenzenes; Hydrocarbon derivatives; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Phenol ethers,0.615,,,Anisoles,0.763,Anisoles,0.763,Benzenoids,0.893,,,,C54H71N5O8,917.5322,Ansa macrolides,0.033,Polyketides,0.446,Macrolides,0.472,C54H72N5O8+,817.18,3325
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.858,Peptides,0.858,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H70N12O6,886.5527,Cyclic peptides,0.625,Amino acids and Peptides,0.992,Oligopeptides,0.991,C46H71N12O6+,818.24,3327
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Glycosylamines; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.983,Glycosyl compounds,0.477,Glycosylamines,0.533,Carbohydrates and carbohydrate conjugates,0.478,Organic oxygen compounds,0.999,,,,C25H32N6O5,496.2433,Purine alkaloids,0.151,Amino acids and Peptides,0.825,Pseudoalkaloids (transamidation),0.202,C25H33N6O5+,817.29,3331
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.586,Dialkylarylamines,0.574,Amines,0.94,Organic nitrogen compounds,1,,,,C24H34N6O3,454.2687,Purine alkaloids,0.308,Alkaloids,0.904,Pseudoalkaloids (transamidation),0.3,C24H35N6O3+,817.89,3332
[M - H4O2 + H]+,"Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Hydroxy bile acids, alcohols and derivatives; 3-hydroxysteroids; Steroid acids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.957,"Hydroxy bile acids, alcohols and derivatives",0.664,"Hydroxy bile acids, alcohols and derivatives",0.664,"Bile acids, alcohols and derivatives",0.654,Lipids and lipid-like molecules,0.99,,,,C26H40O6,448.282,Cholane steroids,0.223,Terpenoids,0.993,Steroids,0.748,C26H37O4+,818.77,3333
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.794,Peptides,0.794,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.998,,,,C46H70N12O7,902.5484,Cyclic peptides,0.822,Amino acids and Peptides,0.991,Oligopeptides,0.995,C46H71N12O7+,818.86,3336
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.784,,,Prenol lipids,0.784,,,Lipids and lipid-like molecules,0.953,,,,C26H42O5,456.2848,Open-chain polyketides,0.104,Terpenoids,0.867,Triterpenoids,0.241,C26H42NaO5+,820.67,3338
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.854,Alpha amino acids and derivatives,0.785,"Amino acids, peptides, and analogues",0.872,Organic acids and derivatives,0.991,,,,C50H76N6O9,904.5636,Cyclic peptides,0.223,Amino acids and Peptides,0.654,Oligopeptides,0.881,C50H77N6O9+,820.92,3339
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.653,,,Prenol lipids,0.653,,,Lipids and lipid-like molecules,0.908,,,,C26H46O5,460.3163,Open-chain polyketides,0.208,Terpenoids,0.742,Sesterterpenoids,0.17,C26H46NaO5+,820.79,3341
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.681,,,Prenol lipids,0.681,,,Lipids and lipid-like molecules,0.941,,,,C26H38O4,414.2755,Ophiobolane sesterterpenoids,0.182,Terpenoids,0.786,Sesterterpenoids,0.255,C26H39O4+,821.17,3342
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.948,Amino acids and derivatives,0.506,Amino acids and derivatives,0.506,"Amino acids, peptides, and analogues",0.505,Organic acids and derivatives,0.977,,,,C56H74N2O9,918.5427,Polyene macrolides,0.14,Terpenoids,0.268,Macrolides,0.73,C56H75N2O9+,818.71,3343
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Diterpenoids; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.797,,,Diterpenoids,0.556,Diterpenoids,0.556,Lipids and lipid-like molecules,0.911,,,,C24H34O2,354.2559,Abietane diterpenoids,0.228,Terpenoids,0.96,Diterpenoids,0.783,C24H35O2+,820.94,3345
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.621,Dialkylarylamines,0.727,Amines,0.952,Organic nitrogen compounds,1,,,,C25H36N6O4,484.2798,Purine alkaloids,0.017,Amino acids and Peptides,0.236,Small peptides,0.107,C25H37N6O4+,819.8,3346
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organooxygen compounds; Oxosteroids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.61,,,Hydroxysteroids,0.555,Hydroxysteroids,0.555,Lipids and lipid-like molecules,0.893,,,,C26H38O5,430.2715,"Lanostane, Tirucallane and Euphane triterpenoids",0.107,Terpenoids,0.717,Triterpenoids,0.361,C26H39O5+,821.54,3348
[M - H4O2 + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.928,Peptides,0.501,Peptides,0.501,"Amino acids, peptides, and analogues",0.842,Organic acids and derivatives,0.956,,,,C20H40N6O6,460.302,Tripeptides,0.402,Amino acids and Peptides,0.879,Oligopeptides,0.691,C20H37N6O4+,822.96,3350
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Carboximidamides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.953,N-acyl-alpha amino acids and derivatives,0.697,"Amino acids, peptides, and analogues",0.959,Organic acids and derivatives,0.99,,,,C25H36N6O4,484.2798,Dipeptides,0.378,Amino acids and Peptides,0.979,Oligopeptides,0.716,C25H37N6O4+,824.36,3351
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.911,Alpha amino acids and derivatives,0.792,"Amino acids, peptides, and analogues",0.923,Organic acids and derivatives,0.997,,,,C34H39N5O4,581.3014,Cyclic peptides,0.279,Amino acids and Peptides,0.972,Oligopeptides,0.828,C34H40N5O4+,824.98,3354
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.652,,,Benzene and substituted derivatives,0.652,,,Benzenoids,0.873,,,,C24H34N6O5,486.2587,Dipeptides,0.019,Amino acids and Peptides,0.353,Small peptides,0.106,C24H35N6O5+,823.99,3355
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Benzyloxycarbonyls; Carbamate esters; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.969,Amino acids and derivatives,0.964,Carbamate esters,0.782,"Amino acids, peptides, and analogues",0.968,Organic acids and derivatives,0.975,,,,C25H32N6O5,496.2434,Dipeptides,0.24,Amino acids and Peptides,0.972,Small peptides,0.821,C25H33N6O5+,824.85,3360
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Ethers; Organonitrogen compounds; Organooxygen compounds; Dialkyl ethers; Aminopyrimidines and derivatives; Diazines; Amines; Imidolactams; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.695,Aminopyrimidines and derivatives,0.682,Aminopyrimidines and derivatives,0.682,Pyrimidines and pyrimidine derivatives,0.65,Organoheterocyclic compounds,0.997,,,,C24H34N6O4,470.2639,Purine alkaloids,0.032,Alkaloids,0.671,Pseudoalkaloids (transamidation),0.095,C24H35N6O4+,825.22,3369
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Dialkylarylamines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.523,Dialkylarylamines,0.544,Amines,0.929,Organic nitrogen compounds,1,,,,C18H32N6O3,380.2535,Purine alkaloids,0.093,Alkaloids,0.538,Pseudoalkaloids (transamidation),0.149,C18H33N6O3+,825.58,3371
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.69,,,Fatty acid esters,0.519,Fatty acid esters,0.519,Lipids and lipid-like molecules,0.716,,,,C29H45NO9,551.3087,Open-chain polyketides,0.112,Amino acids and Peptides,0.746,Macrolides,0.625,C29H46NO9+,827.5,3374
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.765,,,Lipids and lipid-like molecules,0.765,,,,C26H38O6,446.2666,Open-chain polyketides,0.263,Polyketides,0.507,Linear polyketides,0.263,C26H38NaO6+,827.97,3375
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.702,,,Lipids and lipid-like molecules,0.702,,,,C26H40O5,432.2871,Open-chain polyketides,0.112,Terpenoids,0.565,Steroids,0.205,C26H40NaO5+,828.14,3376
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.961,Amino acids and derivatives,0.564,Amino acids and derivatives,0.564,"Amino acids, peptides, and analogues",0.567,Organic acids and derivatives,0.977,,,,C21H44N2O9,468.3065,Open-chain polyketides,0.15,Fatty acids,0.331,Linear polyketides,0.151,C21H45N2O9+,827.5,3377
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Diazines; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.554,,,Benzenoids,0.554,,,,C22H30N6O3,426.2389,Imidazole alkaloids,0.026,Alkaloids,0.634,Pseudoalkaloids (transamidation),0.082,C22H31N6O3+,827.98,3382
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Steroid esters; Carbonyl compounds; 3-oxosteroids; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.959,,,Steroid esters,0.773,Steroid esters,0.773,Lipids and lipid-like molecules,0.983,,,,C26H38O4,414.2756,Pregnane steroids,0.151,Terpenoids,0.982,Steroids,0.902,C26H39O4+,827.26,3386
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Primary alcohols; Organooxygen compounds; Acetals; Secondary alcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Fatty Acyls; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,0.999,Glycosyl compounds,0.502,O-glycosyl compounds,0.539,Carbohydrates and carbohydrate conjugates,0.575,Organic oxygen compounds,1,,,,C26H50O8,490.3505,Labdane diterpenoids,0.115,Terpenoids,0.333,Diterpenoids,0.283,C26H50NaO8+,828.95,3387
,,,,,,,,,,,,,,,,490.35,,,,,,,,829.31,3389
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acids; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.978,Amino acids and derivatives,0.756,Amino acids and derivatives,0.756,"Amino acids, peptides, and analogues",0.759,Organic acids and derivatives,0.993,,,,C24H30N6O4,466.233,Aminoacids,0.04,Amino acids and Peptides,0.636,Small peptides,0.233,C24H31N6O4+,829.42,3391
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.843,N-acyl-alpha amino acids and derivatives,0.645,"Amino acids, peptides, and analogues",0.849,Organic acids and derivatives,0.999,,,,C26H40N2O9,524.2745,Open-chain polyketides,0.05,Amino acids and Peptides,0.648,Macrolides,0.156,C26H41N2O9+,827.5,3396
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.941,Amino acids and derivatives,0.646,Amino acids and derivatives,0.646,"Amino acids, peptides, and analogues",0.664,Organic acids and derivatives,0.962,,,,C20H36N6O4,424.2804,Tripeptides,0.367,Amino acids and Peptides,0.795,Small peptides,0.38,C20H37N6O4+,830.16,3399
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.677,,,Prenol lipids,0.677,,,Lipids and lipid-like molecules,0.8,,,,C26H38O5,452.2538,Open-chain polyketides,0.092,Terpenoids,0.72,Sesquiterpenoids,0.145,C26H38NaO5+,830.51,3400
,,,,,,,,,,,,,,,,595.4284,,,,,,,,831.1,3401
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.902,Peptides,0.902,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.999,,,,C24H30N6O4,466.2329,Linear peptides,0.684,Amino acids and Peptides,0.995,Oligopeptides,0.944,C24H31N6O4+,831.22,3402
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Dialkyl ethers; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.861,Amino acids and derivatives,0.821,Carbamate esters,0.674,"Amino acids, peptides, and analogues",0.823,Organic acids and derivatives,0.922,,,,C25H36N6O4,484.2803,Pyrroloindole alkaloids,0.008,Alkaloids,0.333,Small peptides,0.029,C25H37N6O4+,831.1,3404
,,,,,,,,,,,,,,,,880.4768,,,,,,,,830.74,3406
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyridines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.941,Alpha amino acid amides,0.507,"Amino acids, peptides, and analogues",0.95,Organic acids and derivatives,0.989,,,,C47H70N12O7,914.5483,Cyclic peptides,0.234,Amino acids and Peptides,0.836,Oligopeptides,0.934,C47H71N12O7+,831.22,3410
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.952,Peptides,0.517,Peptides,0.517,"Amino acids, peptides, and analogues",0.918,Organic acids and derivatives,0.989,,,,C39H68N12O12,896.5041,Cyclic peptides,0.342,Amino acids and Peptides,0.964,Oligopeptides,0.985,C39H69N12O12+,832.55,3411
[M + H]+,Organic compounds; Organoheterocyclic compounds; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.622,,,Benzene and substituted derivatives,0.622,,,Benzenoids,0.829,,,,C24H36N6O5,488.2755,Tripeptides,0.048,Amino acids and Peptides,0.611,Oligopeptides,0.296,C24H37N6O5+,831.93,3414
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.609,,,Steroids and steroid derivatives,0.609,,,Lipids and lipid-like molecules,0.866,,,,C26H38O5,430.2715,Ergostane steroids,0.041,Terpenoids,0.926,Steroids,0.365,C26H38NaO5+,833.67,3415
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.545,,,Prenol lipids,0.545,,,Lipids and lipid-like molecules,0.791,,,,C26H38O5,430.2719,Open-chain polyketides,0.123,Terpenoids,0.698,Sesquiterpenoids,0.14,C26H38NaO5+,833.44,3416
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.751,,,Prenol lipids,0.751,,,Lipids and lipid-like molecules,0.936,,,,C26H38O5,430.2718,"Lanostane, Tirucallane and Euphane triterpenoids",0.161,Terpenoids,0.764,Triterpenoids,0.147,C26H35O3+,833.33,3417
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organooxygen compounds; Oxosteroids; Estrane steroids; Carbonyl compounds; 3-oxosteroids; Alpha,beta-unsaturated carbonyl compounds; Estrogens and derivatives; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.957,Estrogens and derivatives,0.597,Estrogens and derivatives,0.597,Estrane steroids,0.796,Lipids and lipid-like molecules,0.96,,,,C26H32O2,376.2399,Estrane steroids,0.868,Terpenoids,0.992,Steroids,0.974,C26H33O2+,833.49,3421
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.966,Amino acids and derivatives,0.85,Amino acids and derivatives,0.85,"Amino acids, peptides, and analogues",0.857,Organic acids and derivatives,0.982,,,,C27H40N6O5,528.3056,Cyclic peptides,0.062,Amino acids and Peptides,0.872,Small peptides,0.134,C27H41N6O5+,834.46,3425
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.989,Peptides,0.856,Oligopeptides,0.56,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.998,,,,C41H66N14O9,898.5175,Cyclic peptides,0.734,Amino acids and Peptides,0.988,Oligopeptides,0.997,C41H67N14O9+,833.67,3426
,,,,,,,,,,,,,,,,898.4904,,,,,,,,833.67,3428
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Imidazopyrimidines; Carbonyl compounds; Glycosylamines; Substituted imidazoles; N-substituted imidazoles; Amines; Primary amines; 6-aminopurines; Imidolactams; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.996,Glycosyl compounds,0.47,Glycosylamines,0.594,Carbohydrates and carbohydrate conjugates,0.355,Organic oxygen compounds,1,,,,C22H40N6O5,468.3067,Purine nucleosides,0.494,Carbohydrates,0.855,Nucleosides,0.812,C22H41N6O5+,833.78,3429
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.975,Amino acids and derivatives,0.517,Amino acids and derivatives,0.517,"Amino acids, peptides, and analogues",0.521,Organic acids and derivatives,0.996,,,,C24H42N2O8,486.2952,Open-chain polyketides,0.826,Polyketides,0.614,Linear polyketides,0.939,C24H43N2O8+,832.27,3434
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.611,Alpha amino acids and derivatives,0.516,"Amino acids, peptides, and analogues",0.617,Organic acids and derivatives,0.999,,,,C24H40N2O8,484.2798,Open-chain polyketides,0.544,Amino acids and Peptides,0.709,Linear polyketides,0.69,C24H41N2O8+,832.4,3437
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Benzoic acids and derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Benzoyl derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Benzoic acids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.859,Benzoic acids,0.646,Benzoic acids,0.646,Benzoic acids and derivatives,0.621,Benzenoids,0.921,,,,C26H36O4,412.2613,Ophiobolane sesterterpenoids,0.098,Terpenoids,0.809,Sesquiterpenoids,0.239,C26H37O4+,833.05,3438
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Monosaccharides; Acetals; Secondary alcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Fatty Acyls; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Glycosyl compounds,0.743,O-glycosyl compounds,0.778,Carbohydrates and carbohydrate conjugates,0.862,Organic oxygen compounds,1,,,,C28H54O9,534.3756,Fatty acyl glycosides of mono- and disaccharides,0.195,Fatty acids,0.547,Fatty acyl glycosides,0.331,C28H54NaO9+,836.5,3441
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Carbonyl compounds; Amines; Primary amines; Acetamides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.781,Amino acids and derivatives,0.602,Amino acids and derivatives,0.602,"Amino acids, peptides, and analogues",0.615,Organic acids and derivatives,0.886,,,,C24H44N6O6,512.3325,Purine nucleosides,0.235,Carbohydrates,0.908,Nucleosides,0.738,C24H45N6O6+,834.82,3442
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Substituted imidazoles; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.911,Amino acids and derivatives,0.589,Amino acids and derivatives,0.589,"Amino acids, peptides, and analogues",0.591,Organic acids and derivatives,0.96,,,,C28H26N8O4,538.2102,Pyrroloquinoline alkaloids,0.11,Alkaloids,0.783,Tryptophan alkaloids,0.247,C28H27N8O4+,837.14,3449
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alkyl aryl ethers; Anisoles; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Phenol ethers; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.973,Amino acids and derivatives,0.966,Alpha amino acid amides,0.503,"Amino acids, peptides, and analogues",0.969,Organic acids and derivatives,0.989,,,,C47H70N12O7,914.5488,Cyclic peptides,0.219,Amino acids and Peptides,0.641,Oligopeptides,0.656,C47H71N12O7+,837.73,3451
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Primary alcohols; Organooxygen compounds; Monosaccharides; Acetals; Secondary alcohols; Fatty acyl glycosides; Oxanes; Glycosyl compounds; Alkyl glycosides; O-glycosyl compounds; Polyols; Fatty acyl glycosides of mono- and disaccharides; Fatty Acyls; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.862,Alkyl glycosides,0.565,Alkyl glycosides,0.565,Fatty acyl glycosides,0.631,Lipids and lipid-like molecules,0.92,,,,C30H58O10,578.4017,Fatty acyl glycosides of mono- and disaccharides,0.843,Fatty acids,0.95,Fatty acyl glycosides,0.941,C30H58NaO10+,837.85,3452
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,,,Carbohydrates and carbohydrate conjugates,0.663,Carbohydrates and carbohydrate conjugates,0.663,Organic oxygen compounds,1,,,,C32H62O11,622.4289,Open-chain polyketides,0.214,Fatty acids,0.75,Fatty acyl glycosides,0.391,C32H62NaO11+,839.57,3453
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.525,Amino acids and derivatives,0.525,"Amino acids, peptides, and analogues",0.527,Organic acids and derivatives,0.998,,,,C23H40N2O8,472.2796,Open-chain polyketides,0.237,Amino acids and Peptides,0.84,Linear polyketides,0.448,C23H41N2O8+,838.9,3458
,,,,,,,,,,,,,,,,416.2899,,,,,,,,837.87,3462
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.681,Alpha amino acids and derivatives,0.523,"Amino acids, peptides, and analogues",0.689,Organic acids and derivatives,0.996,,,,C23H34N2O8,466.2328,Dipeptides,0.031,Amino acids and Peptides,0.931,Small peptides,0.149,C23H35N2O8+,837.25,3463
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Biphenyls and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbamate esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.911,Amino acids and derivatives,0.82,Carbamate esters,0.731,"Amino acids, peptides, and analogues",0.824,Organic acids and derivatives,0.937,,,,C24H32N6O4,468.2486,Imidazole alkaloids,0.013,Alkaloids,0.414,Small peptides,0.136,C24H33N6O4+,839.27,3466
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.845,,,Lipids and lipid-like molecules,0.845,,,,C26H38O6,446.2665,Open-chain polyketides,0.173,Terpenoids,0.613,Triterpenoids,0.141,C26H35O4+,839.52,3467
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.974,Amino acids and derivatives,0.919,Alpha amino acid amides,0.514,"Amino acids, peptides, and analogues",0.932,Organic acids and derivatives,0.992,,,,C42H70N14O10,930.5426,Cyclic peptides,0.413,Amino acids and Peptides,0.89,Oligopeptides,0.961,C42H71N14O10+,838.84,3469
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.928,Amino acids and derivatives,0.834,Alpha amino acids and derivatives,0.727,"Amino acids, peptides, and analogues",0.85,Organic acids and derivatives,0.971,,,,C21H30N6O5,446.2272,Dipeptides,0.197,Amino acids and Peptides,0.942,Oligopeptides,0.682,C21H31N6O5+,840.33,3472
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Diazines; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.895,Amino acids and derivatives,0.771,Amino acids and derivatives,0.771,"Amino acids, peptides, and analogues",0.782,Organic acids and derivatives,0.952,,,,C25H36N6O4,484.2802,Tripeptides,0.047,Amino acids and Peptides,0.828,Small peptides,0.287,C25H37N6O4+,838.79,3473
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.824,Oligopeptides,0.63,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,1,,,,C45H70N8O12,914.5128,Cyclic peptides,0.574,Amino acids and Peptides,0.978,Oligopeptides,0.989,C45H71N8O12+,839.28,3474
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.743,Peptides,0.743,"Amino acids, peptides, and analogues",0.982,Organic acids and derivatives,0.997,,,,C27H38N6O5,526.2902,Linear peptides,0.579,Amino acids and Peptides,0.987,Oligopeptides,0.954,C27H39N6O5+,838.92,3475
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbamate esters; Dialkyl ethers; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.927,Amino acids and derivatives,0.905,Carbamate esters,0.893,"Amino acids, peptides, and analogues",0.906,Organic acids and derivatives,0.979,,,,C25H34N6O4,482.264,Pyridine alkaloids,0.033,Alkaloids,0.504,Small peptides,0.036,C25H35N6O4+,840.46,3476
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.504,Peptides,0.504,"Amino acids, peptides, and analogues",0.972,Organic acids and derivatives,0.998,,,,C24H34N6O4,470.2639,Linear peptides,0.264,Amino acids and Peptides,0.992,Small peptides,0.703,C24H35N6O4+,839.04,3477
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.536,,,Fatty Acyls,0.536,,,Lipids and lipid-like molecules,0.811,,,,C26H42O5,456.283,Open-chain polyketides,0.666,Polyketides,0.714,Linear polyketides,0.527,C26H42NaO5+,840.21,3479
,,,,,,,,,,,,,,,,666.4548,,,,,,,,840.79,3481
,,,,,,,,,,,,,,,,512.3324,,,,,,,,842.06,3483
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.735,Amino acids and derivatives,0.735,"Amino acids, peptides, and analogues",0.746,Organic acids and derivatives,0.997,,,,C22H36N2O6,424.2591,Open-chain polyketides,0.227,Amino acids and Peptides,0.785,Linear polyketides,0.329,C22H37N2O6+,841.52,3485
,,,,,,,,,,,,,,,,710.4183,,,,,,,,842.29,3486
,,,,,,,,,,,,,,,,453.2567,,,,,,,,841.03,3488
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Organooxygen compounds; Azoles; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.613,,,Benzene and substituted derivatives,0.613,,,Benzenoids,0.738,,,,C24H32N6O3,452.2537,Purine alkaloids,0.044,Amino acids and Peptides,0.466,Pseudoalkaloids (transamidation),0.098,C24H33N6O3+,841.37,3489
,,,,,,,,,,,,,,,,710.4806,,,,,,,,842.29,3494
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid derivatives; Secondary alcohols; Imidazopyrimidines; Carbonyl compounds; Substituted imidazoles; N-substituted imidazoles; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.83,Amino acids and derivatives,0.745,Alpha amino acids and derivatives,0.541,"Amino acids, peptides, and analogues",0.756,Organic acids and derivatives,0.881,,,,C26H48N6O7,556.3584,Purine nucleosides,0.472,Amino acids and Peptides,0.466,Nucleosides,0.492,C26H49N6O7+,843.87,3495
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.988,Peptides,0.504,Peptides,0.504,"Amino acids, peptides, and analogues",0.942,Organic acids and derivatives,0.997,,,,C29H53N5O5,551.4029,Tripeptides,0.47,Amino acids and Peptides,0.943,Oligopeptides,0.789,C29H54N5O5+,843.93,3498
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.518,,,Prenol lipids,0.518,,,Lipids and lipid-like molecules,0.811,,,,C26H40O5,454.269,Open-chain polyketides,0.442,Polyketides,0.591,Linear polyketides,0.318,C26H40NaO5+,842.41,3500
,,,,,,,,,,,,,,,,798.4707,,,,,,,,843.46,3502
,,,,,,,,,,,,,,,,798.4708,,,,,,,,843.34,3503
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.947,N-acyl-alpha amino acids and derivatives,0.597,"Amino acids, peptides, and analogues",0.954,Organic acids and derivatives,0.998,,,,C31H57N5O6,595.429,Cyclic peptides,0.11,Amino acids and Peptides,0.764,Oligopeptides,0.838,C31H58N5O6+,844.99,3508
[M + H]+,Organic compounds; Organoheterocyclic compounds; Quinolones and derivatives; Pyridines and derivatives; Alkyl aryl ethers; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Quinolines and derivatives; Secondary alcohols; Tertiary alcohols; Hydroquinolines; Hydroquinolones; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Quinolines and derivatives,0.557,Hydroquinolones,0.766,Hydroquinolones,0.766,Quinolones and derivatives,0.732,Organoheterocyclic compounds,0.991,,,,C32H32N2O7,556.2203,Quinoline alkaloids,0.299,Alkaloids,0.786,Anthranilic acid alkaloids,0.804,C32H33N2O7+,845.7,3512
,,,,,,,,,,,,,,,,368.2542,,,,,,,,845.35,3514
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.962,Amino acids and derivatives,0.913,Carbamate esters,0.896,"Amino acids, peptides, and analogues",0.916,Organic acids and derivatives,0.986,,,,C24H36N6O3,456.2848,Dipeptides,0.069,Amino acids and Peptides,0.529,Small peptides,0.255,C24H37N6O3+,844.41,3516
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Tetrazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Phenyltetrazoles and derivatives; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.909,,,"Amino acids, peptides, and analogues",0.506,"Amino acids, peptides, and analogues",0.506,Organic acids and derivatives,0.939,,,,C24H34N6O4,470.2631,Cyclamides,0.034,Amino acids and Peptides,0.684,Oligopeptides,0.315,C24H35N6O4+,845.11,3517
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.929,Alpha amino acids and derivatives,0.78,"Amino acids, peptides, and analogues",0.93,Organic acids and derivatives,0.998,,,,C24H38N2O8,482.2642,Open-chain polyketides,0.184,Amino acids and Peptides,0.687,Linear polyketides,0.246,C24H39N2O8+,845.63,3518
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.977,Amino acids and derivatives,0.766,Amino acids and derivatives,0.766,"Amino acids, peptides, and analogues",0.776,Organic acids and derivatives,0.992,,,,C24H42N3O7,484.3036,Open-chain polyketides,0.462,Amino acids and Peptides,0.662,Linear polyketides,0.33,C24H41N3O6+,846.79,3519
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.953,Amino acids and derivatives,0.63,Amino acids and derivatives,0.63,"Amino acids, peptides, and analogues",0.648,Organic acids and derivatives,0.971,,,,C27H40N4O4,484.3036,Open-chain polyketides,0.227,Amino acids and Peptides,0.813,Linear polyketides,0.403,C27H39N4O3+,847.15,3520
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.698,,,Lipids and lipid-like molecules,0.698,,,,C26H44O8,484.3033,Open-chain polyketides,0.288,Polyketides,0.827,Linear polyketides,0.14,C26H44NaO8+,847.03,3521
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.532,,,Prenol lipids,0.532,,,Lipids and lipid-like molecules,0.829,,,,C26H44O5,458.3005,Open-chain polyketides,0.712,Polyketides,0.814,Linear polyketides,0.632,C26H44NaO5+,846.79,3526
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.82,N-acyl-alpha amino acids and derivatives,0.715,"Amino acids, peptides, and analogues",0.831,Organic acids and derivatives,1,,,,C23H34N2O8,466.2329,Cyclic peptides,0.038,Amino acids and Peptides,0.907,Small peptides,0.081,C23H35N2O8+,848.18,3528
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Diazines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.692,Amino acids and derivatives,0.575,Amino acids and derivatives,0.575,"Amino acids, peptides, and analogues",0.583,Organic acids and derivatives,0.771,,,,C24H30N6O3,450.2382,Purine alkaloids,0.052,Alkaloids,0.316,Small peptides,0.129,C24H31N6O3+,847.52,3530
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Aminopyrimidines and derivatives; Diazines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.53,,,"Amino acids, peptides, and analogues",0.51,"Amino acids, peptides, and analogues",0.51,Organic acids and derivatives,0.695,,,,C24H41N7O6,523.3129,Linear peptides,0.079,Amino acids and Peptides,0.791,Oligopeptides,0.467,C24H42N7O6+,849.07,3531
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.983,Amino acids and derivatives,0.865,Alpha amino acids and derivatives,0.836,"Amino acids, peptides, and analogues",0.869,Organic acids and derivatives,0.995,,,,C23H32N2O7,448.2226,Dipeptides,0.042,Amino acids and Peptides,0.867,Small peptides,0.378,C23H33N2O7+,848.35,3537
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.757,,,Lipids and lipid-like molecules,0.757,,,,C26H38O5,430.2718,Open-chain polyketides,0.057,Terpenoids,0.605,Triterpenoids,0.139,C26H38NaO5+,848.91,3538
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Methyl esters; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.517,,,Prenol lipids,0.517,,,Lipids and lipid-like molecules,0.834,,,,C27H42O6,462.2977,Open-chain polyketides,0.453,Polyketides,0.827,Cyclic polyketides,0.385,C27H42NaO6+,849.92,3539
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.848,Alpha amino acids and derivatives,0.745,"Amino acids, peptides, and analogues",0.864,Organic acids and derivatives,0.995,,,,C51H76N6O9,916.5648,Linear peptides,0.154,Amino acids and Peptides,0.774,Oligopeptides,0.868,C51H77N6O9+,850.29,3541
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.801,,,Lipids and lipid-like molecules,0.801,,,,C24H34O3,370.2507,Open-chain polyketides,0.062,Terpenoids,0.614,Steroids,0.251,C24H33O2+,851.8,3548
,,,,,,,,,,,,,,,,164.0628,,,,,,,,851.61,3550
[M + H]+,Organic compounds; Phenanthrenes and derivatives; Benzenoids; Hydrocarbons; Polycyclic hydrocarbons; Unsaturated hydrocarbons; Aromatic hydrocarbons; Chemical entities,Phenanthrenes and derivatives,0.623,,,Phenanthrenes and derivatives,0.623,,,Benzenoids,0.996,,,,C14H9,177.0707,Anthraquinones and anthrones,0.075,Polyketides,0.139,Fatty acyls,0.036,C14H10+,851.97,3551
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Phenanthrenes and derivatives; Tetralins; Hydrophenanthrenes; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Diterpenoids; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.921,,,Diterpenoids,0.778,Diterpenoids,0.778,Lipids and lipid-like molecules,0.95,,,,C20H26O2,298.1931,Abietane diterpenoids,0.544,Terpenoids,0.997,Diterpenoids,0.948,C20H27O2+,852.37,3553
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.579,,,Prenol lipids,0.579,,,Lipids and lipid-like molecules,0.858,,,,C26H40O5,454.2692,Open-chain polyketides,0.126,Terpenoids,0.751,Linear polyketides,0.127,C26H40NaO5+,851.73,3556
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.531,,,Prenol lipids,0.531,,,Lipids and lipid-like molecules,0.846,,,,C26H40O5,454.2694,Open-chain polyketides,0.164,Terpenoids,0.559,Linear polyketides,0.155,C26H40NaO5+,851.73,3557
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.503,Peptides,0.503,"Amino acids, peptides, and analogues",0.914,Organic acids and derivatives,0.997,,,,C23H38N2O6S,470.2433,Depsipeptides,0.119,Amino acids and Peptides,0.869,Oligopeptides,0.9,C23H39N2O6S+,854.17,3559
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acids; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.954,Amino acids and derivatives,0.758,Amino acids and derivatives,0.758,"Amino acids, peptides, and analogues",0.762,Organic acids and derivatives,0.98,,,,C24H34N6O3,454.2692,Dipeptides,0.058,Alkaloids,0.579,Small peptides,0.182,C24H35N6O3+,851.61,3560
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.952,Amino acids and derivatives,0.689,N-acyl-alpha amino acids,0.505,"Amino acids, peptides, and analogues",0.702,Organic acids and derivatives,0.981,,,,C27H38N6O8,574.2749,Linear peptides,0.101,Amino acids and Peptides,0.745,Oligopeptides,0.744,C27H39N6O8+,853.13,3563
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.812,Alpha amino acids and derivatives,0.871,"Amino acids, peptides, and analogues",0.814,Organic acids and derivatives,0.999,,,,C26H38N2O9,522.2589,Antimycins,0.117,Amino acids and Peptides,0.826,Macrolides,0.09,C26H39N2O9+,852.45,3565
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.528,,,Fatty Acyls,0.528,,,Lipids and lipid-like molecules,0.565,,,,C28H45NO7,507.3194,Open-chain polyketides,0.304,Amino acids and Peptides,0.509,Linear polyketides,0.633,C28H46NO7+,852.69,3566
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Benzyloxycarbonyls; Monocarboxylic acids and derivatives; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.689,Peptides,0.689,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,1,,,,C23H38N2O8,470.2637,Dipeptides,0.212,Amino acids and Peptides,0.882,Small peptides,0.63,C23H39N2O8+,853.9,3567
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Oxazinanes; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Morpholines; Dialkyl ethers; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; 1,3,5-triazines; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Organonitrogen compounds,1,Tertiary amines,0.881,Dialkylarylamines,0.832,Amines,0.983,Organic nitrogen compounds,1,,,,C24H36N6O2,440.2905,Purine alkaloids,0.207,Alkaloids,0.914,Pseudoalkaloids (transamidation),0.537,C24H37N6O2+,853.17,3569
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.963,Carbamate esters,0.899,"Amino acids, peptides, and analogues",0.966,Organic acids and derivatives,0.996,,,,C25H34N6O4,482.2641,Dipeptides,0.059,Amino acids and Peptides,0.786,Small peptides,0.327,C25H35N6O4+,853.89,3572
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.657,,,Steroids and steroid derivatives,0.657,,,Lipids and lipid-like molecules,0.9,,,,C26H34O6,442.2334,Abeolupane triterpenoids,0.033,Terpenoids,0.974,Triterpenoids,0.588,C26H35O6+,854.74,3573
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Ethers; Organonitrogen compounds; Organooxygen compounds; Azoles; Dialkyl ethers; Aminopyrimidines and derivatives; Diazines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.609,Dialkylarylamines,0.702,Amines,0.865,Organic nitrogen compounds,1,,,,C24H32N6O4,468.2485,Purine alkaloids,0.047,Alkaloids,0.709,Pseudoalkaloids (transamidation),0.097,C24H33N6O4+,853.77,3574
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.584,,,Prenol lipids,0.584,,,Lipids and lipid-like molecules,0.889,,,,C25H38O5,440.2538,Open-chain polyketides,0.119,Terpenoids,0.74,Sesterterpenoids,0.172,C25H38NaO5+,854.14,3577
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.98,Amino acids and derivatives,0.901,N-acyl-alpha amino acids and derivatives,0.568,"Amino acids, peptides, and analogues",0.911,Organic acids and derivatives,0.983,,,,C25H38N6O4,486.2955,Linear peptides,0.064,Amino acids and Peptides,0.962,Oligopeptides,0.535,C25H39N6O4+,854.48,3578
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.599,Peptides,0.599,"Amino acids, peptides, and analogues",0.954,Organic acids and derivatives,0.998,,,,C50H72N6O9,900.5352,Cyclic peptides,0.243,Amino acids and Peptides,0.602,Oligopeptides,0.866,C50H73N6O9+,853.77,3579
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Quaternary ammonium salts; Cholines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Phosphocholines; Lysophosphatidylcholines; 1-acyl-sn-glycero-3-phosphocholines; Carbonyl compounds; Glycerophosphocholines; Amines; Alkyl phosphates; Dialkyl phosphates; Organic cations; Organic salts; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Glycerophospholipids,0.995,Lysophosphatidylcholines,0.97,1-acyl-sn-glycero-3-phosphocholines,0.956,Glycerophosphocholines,0.992,Lipids and lipid-like molecules,0.976,PC(0:0/14:0); [M+H]+ C22H47N1O7P1,nan,nan,C22H46NO7P,467.3008,Glycerophosphocholines,0.999,Fatty acids,1,Glycerophospholipids,1,C22H47NO7P+,856.2,3581
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.756,Alpha amino acids and derivatives,0.683,"Amino acids, peptides, and analogues",0.759,Organic acids and derivatives,0.999,,,,C23H34N2O8,466.2326,Antimycins,0.119,Amino acids and Peptides,0.868,Macrolides,0.147,C23H35N2O8+,855.11,3583
,,,,,,,,,,,,,,,,452.2536,,,,,,,,856.45,3585
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.684,Amino acids and derivatives,0.684,"Amino acids, peptides, and analogues",0.687,Organic acids and derivatives,0.996,,,,C26H40N2O9,524.2739,Open-chain polyketides,0.336,Amino acids and Peptides,0.496,Linear polyketides,0.492,C26H41N2O9+,856.2,3586
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.613,Peptides,0.613,"Amino acids, peptides, and analogues",0.978,Organic acids and derivatives,1,,,,C45H68N8O11,896.5023,Linear peptides,0.311,Amino acids and Peptides,0.932,Oligopeptides,0.977,C45H69N8O11+,856.57,3587
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.809,Peptides,0.809,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.998,,,,C46H66N12O6,882.5229,Cyclic peptides,0.449,Amino acids and Peptides,0.983,Oligopeptides,0.969,C46H67N12O6+,857.05,3588
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.73,Alpha amino acids and derivatives,0.621,"Amino acids, peptides, and analogues",0.734,Organic acids and derivatives,0.982,,,,C23H40N2O10,504.2677,Open-chain polyketides,0.066,Amino acids and Peptides,0.369,Aminosugars and aminoglycosides,0.097,C23H41N2O10+,857.42,3589
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Diazines; Carbonyl compounds; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.906,Amino acids and derivatives,0.569,Amino acids and derivatives,0.569,"Amino acids, peptides, and analogues",0.576,Organic acids and derivatives,0.956,,,,C24H36N6O4,472.2791,Open-chain polyketides,0.044,Amino acids and Peptides,0.559,Linear polyketides,0.116,C24H37N6O4+,857.66,3591
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.751,,,Hydroxysteroids,0.678,Hydroxysteroids,0.678,Lipids and lipid-like molecules,0.967,,,,C26H36O5,428.256,Abeolupane triterpenoids,0.06,Terpenoids,0.989,Triterpenoids,0.877,C26H36NaO5+,858.39,3592
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.621,,,Prenol lipids,0.621,,,Lipids and lipid-like molecules,0.802,,,,C26H36O5,428.2562,Open-chain polyketides,0.073,Terpenoids,0.572,Triterpenoids,0.205,C26H35O4+,858.5,3593
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Carbonyl compounds; 3-oxosteroids; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.701,3-oxosteroids,0.547,3-oxosteroids,0.547,Oxosteroids,0.62,Lipids and lipid-like molecules,0.857,,,,C26H36O5,428.256,Ergostane steroids,0.069,Terpenoids,0.894,Steroids,0.434,C26H37O5+,858.76,3594
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.772,Amino acids and derivatives,0.772,"Amino acids, peptides, and analogues",0.782,Organic acids and derivatives,0.997,,,,C24H34N3O4,428.2563,Open-chain polyketides,0.132,Amino acids and Peptides,0.885,Linear polyketides,0.213,C24H34N3NaO4+,858.51,3595
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; 3-oxosteroids; Cyclic ketones; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.888,,,Hydroxysteroids,0.701,Hydroxysteroids,0.701,Lipids and lipid-like molecules,0.921,,,,C26H36O5,428.2562,Ergostane steroids,0.434,Terpenoids,0.948,Steroids,0.832,C26H33O3+,858.39,3598
,,,,,,,,,,,,,,,,424.2597,,,,,,,,859.47,3601
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Lactams; Pyrrolidines; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Branched fatty acids; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Thioethers; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Heterocyclic fatty acids; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.933,Alpha amino acids and derivatives,0.906,"Amino acids, peptides, and analogues",0.937,Organic acids and derivatives,0.999,,,,C14H30N2O5S,338.188,Carbapenems,0.07,Amino acids and Peptides,0.675,β-lactams,0.098,C14H31N2O5S+,858.4,3602
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.857,N-acyl-alpha amino acids and derivatives,0.585,"Amino acids, peptides, and analogues",0.862,Organic acids and derivatives,0.999,,,,C23H32N2O7,448.2224,Dipeptides,0.091,Amino acids and Peptides,0.964,Small peptides,0.219,C23H33N2O7+,858.62,3603
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.518,,,Prenol lipids,0.518,,,Lipids and lipid-like molecules,0.802,,,,C26H38O5,452.2539,Open-chain polyketides,0.471,Polyketides,0.492,Linear polyketides,0.387,C26H38NaO5+,859.59,3608
,,,,,,,,,,,,,,,,430.2716,,,,,,,,863.55,3617
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.523,,,Prenol lipids,0.523,,,Lipids and lipid-like molecules,0.776,,,,C27H42O6,484.2797,Open-chain polyketides,0.612,Polyketides,0.865,Linear polyketides,0.295,C27H42NaO6+,862.13,3622
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.94,Amino acids and derivatives,0.826,Carbamate esters,0.663,"Amino acids, peptides, and analogues",0.829,Organic acids and derivatives,0.966,,,,C24H34N6O3,454.2694,Dipeptides,0.047,Alkaloids,0.32,Small peptides,0.186,C24H35N6O3+,862.5,3624
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.713,,,Lipids and lipid-like molecules,0.713,,,,C26H36O6,444.2504,Open-chain polyketides,0.133,Terpenoids,0.448,Steroids,0.099,C26H36NaO6+,865.41,3625
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.543,,,Lipids and lipid-like molecules,0.543,,,,C26H36O6,444.2512,Ergostane steroids,0.023,Terpenoids,0.68,Diterpenoids,0.119,C26H36NaO6+,865.16,3626
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.804,,,Benzenoids,0.804,,,,C24H36N6O4,472.2796,Purine alkaloids,0.015,Amino acids and Peptides,0.532,Oligopeptides,0.09,C24H37N6O4+,864.55,3628
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.725,Peptides,0.725,"Amino acids, peptides, and analogues",0.991,Organic acids and derivatives,0.999,,,,C45H74N8O10,886.5535,Cyclic peptides,0.405,Amino acids and Peptides,0.958,Oligopeptides,0.987,C45H75N8O10+,863.7,3633
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.946,Amino acids and derivatives,0.822,Carbamate esters,0.521,"Amino acids, peptides, and analogues",0.828,Organic acids and derivatives,0.975,,,,C24H34N6O3,454.2693,Dipeptides,0.07,Alkaloids,0.507,Small peptides,0.222,C24H35N6O3+,865.4,3635
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.931,Amino acids and derivatives,0.657,Amino acids and derivatives,0.657,"Amino acids, peptides, and analogues",0.66,Organic acids and derivatives,0.944,,,,C28H43N3O6,517.3163,Open-chain polyketides,0.104,Alkaloids,0.36,Steroids,0.392,C28H44N3O6+,866.26,3636
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.723,Amino acids and derivatives,0.723,"Amino acids, peptides, and analogues",0.73,Organic acids and derivatives,0.993,,,,C23H40N2O9,488.2742,Open-chain polyketides,0.125,Amino acids and Peptides,0.286,Macrolides,0.148,C23H39N2O8+,867.71,3638
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Lactams; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.686,,,Indoles,0.636,Indoles,0.636,Organoheterocyclic compounds,0.998,,,,C32H32N2O6,540.2255,Cytochalasan alkaloids,0.177,Alkaloids,0.971,Tryptophan alkaloids,0.453,C32H31N2O5+,867.71,3639
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Lactams; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.735,Alpha amino acids and derivatives,0.726,"Amino acids, peptides, and analogues",0.738,Organic acids and derivatives,0.996,,,,C32H32N2O6,540.2255,Cytochalasan alkaloids,0.198,Alkaloids,0.707,Tryptophan alkaloids,0.502,C32H31N2O5+,867.58,3640
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Peptides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities,Carboxylic acids and derivatives,0.999,Peptides,0.858,Oligopeptides,0.777,"Amino acids, peptides, and analogues",0.064,Organic acids and derivatives,1,,,,C32H32N2O6,540.2258,Tripeptides,0.858,Amino acids and Peptides,0.987,Small peptides,0.989,C32H32N2NaO6+,867.83,3641
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.663,,,Fatty Acyls,0.663,,,Lipids and lipid-like molecules,0.778,,,,C23H36O6,408.2511,Open-chain polyketides,0.595,Polyketides,0.597,Linear polyketides,0.403,C23H36NaO6+,868.24,3642
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.975,Peptides,0.595,Peptides,0.595,"Amino acids, peptides, and analogues",0.897,Organic acids and derivatives,0.991,,,,C24H36N6O6,504.2682,Tripeptides,0.313,Amino acids and Peptides,0.99,Oligopeptides,0.834,C24H35N6O5+,869.18,3643
,,,,,,,,,,,,,,,,486.2376,,,,,,,,868.22,3644
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.638,,,Fatty Acyls,0.638,,,Lipids and lipid-like molecules,0.707,,,,C28H47NO7,509.3351,Open-chain polyketides,0.495,Amino acids and Peptides,0.397,Linear polyketides,0.646,C28H48NO7+,868.3,3645
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.938,,,Triterpenoids,0.746,Triterpenoids,0.746,Lipids and lipid-like molecules,0.988,,,,C26H42O5,456.2835,Ursane and Taraxastane triterpenoids,0.215,Terpenoids,0.998,Triterpenoids,0.981,C26H42NaO5+,868.07,3647
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.91,Amino acids and derivatives,0.675,Amino acids and derivatives,0.675,"Amino acids, peptides, and analogues",0.691,Organic acids and derivatives,0.948,,,,C24H34N6O5,486.2607,Cyclamides,0.035,Amino acids and Peptides,0.83,Oligopeptides,0.479,C24H33N6O4+,870.62,3648
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.956,Amino acids and derivatives,0.694,Amino acids and derivatives,0.694,"Amino acids, peptides, and analogues",0.711,Organic acids and derivatives,0.977,,,,C35H46N4O3,570.3559,Open-chain polyketides,0.095,Amino acids and Peptides,0.626,Oligopeptides,0.457,C35H47N4O3+,870.19,3654
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.969,Amino acids and derivatives,0.828,Amino acids and derivatives,0.828,"Amino acids, peptides, and analogues",0.833,Organic acids and derivatives,0.989,,,,C24H34N6O3,454.2688,Dipeptides,0.143,Amino acids and Peptides,0.672,Small peptides,0.462,C24H35N6O3+,872.14,3656
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Alcohols and polyols; Anisoles; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Tertiary alcohols; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Phenol ethers,0.601,,,Anisoles,0.615,Anisoles,0.615,Benzenoids,0.987,,,,C32H32N2O7,556.2201,Acridone alkaloids,0.142,Alkaloids,0.865,Anthranilic acid alkaloids,0.475,C32H33N2O7+,874.38,3663
[M + Na]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters; Monoalkylamines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Phosphoethanolamines; Lysophosphatidylethanolamines; Secondary alcohols; 1-acyl-sn-glycero-3-phosphoethanolamines; Carbonyl compounds; Glycerophosphoethanolamines; Amines; Primary amines; Alkyl phosphates; Dialkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.988,Amino acids and derivatives,0.988,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.999,,,,C23H44NO7P,499.2663,Glycerophosphoethanolamines,0.999,Fatty acids,1,Glycerophospholipids,1,C23H44NNaO7P+,874.88,3664
,,,,,,,,,,,,,,,,430.2719,,,,,,,,873.63,3668
[M - H4O2 + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.659,,,Steroids and steroid derivatives,0.659,,,Lipids and lipid-like molecules,0.894,,,,C26H38O5,430.2718,Monocarbocyclic sesterterpenoids,0.187,Terpenoids,0.806,Sesterterpenoids,0.439,C26H35O3+,873.61,3669
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Imidolactams; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.702,Aminopyrimidines and derivatives,0.67,Aminopyrimidines and derivatives,0.67,Pyrimidines and pyrimidine derivatives,0.632,Organoheterocyclic compounds,0.966,,,,C22H36N6O3,432.2868,Tripeptides,0.022,Alkaloids,0.265,Small peptides,0.056,C22H35N6O2+,872.73,3672
,,,,,,,,,,,,,,,,444.285,,,,,,,,873.83,3673
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.896,N-acyl-alpha amino acids and derivatives,0.655,"Amino acids, peptides, and analogues",0.9,Organic acids and derivatives,1,,,,C23H34N2O8,466.2331,Antimycins,0.423,Amino acids and Peptides,0.954,Macrolides,0.356,C23H35N2O8+,873.21,3675
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.818,,,Fatty Acyls,0.818,,,Lipids and lipid-like molecules,0.84,,,,C28H47NO7,509.3349,Open-chain polyketides,0.46,Amino acids and Peptides,0.263,Linear polyketides,0.508,C28H48NO7+,875.55,3676
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.972,Amino acids and derivatives,0.679,Amino acids and derivatives,0.679,"Amino acids, peptides, and analogues",0.689,Organic acids and derivatives,0.99,,,,C29H30N4O9,578.2019,Cyclic peptides,0.076,Amino acids and Peptides,0.46,Oligopeptides,0.315,C29H31N4O9+,874.37,3677
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.579,Dialkylarylamines,0.631,Amines,0.924,Organic nitrogen compounds,1,,,,C24H36N6O3,456.2847,Purine alkaloids,0.046,Alkaloids,0.818,Pseudoalkaloids (transamidation),0.178,C24H37N6O3+,875.37,3680
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Thioethers; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Glycosyl compounds; Alpha amino acid amides; Amines; Primary amines; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.912,Amino acids and derivatives,0.826,Alpha amino acid amides,0.514,"Amino acids, peptides, and analogues",0.843,Organic acids and derivatives,0.965,,,,C21H43N7O5S,505.3052,Linear peptides,0.234,Amino acids and Peptides,0.765,Oligopeptides,0.958,C21H44N7O5S+,878.26,3691
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Oligosaccharides; Ethers; Primary alcohols; Organooxygen compounds; Hemiacetals; Acetals; Secondary alcohols; Oxanes; Glycosyl compounds; C-glycosyl compounds; O-glycosyl compounds; Polyols; Oxacyclic compounds; Hydrocarbon derivatives; Ketals; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Oligosaccharides,0.852,Oligosaccharides,0.852,Carbohydrates and carbohydrate conjugates,0.999,Organic oxygen compounds,1,,,,C19H38O18,554.2044,Polysaccharides,0.958,Carbohydrates,0.998,Saccharides,0.999,C19H38NaO18+,877.38,3692
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carbamate esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.94,Carbamate esters,0.684,"Amino acids, peptides, and analogues",0.946,Organic acids and derivatives,0.994,,,,C24H32N6O4,468.2483,Dipeptides,0.119,Amino acids and Peptides,0.925,Small peptides,0.563,C24H33N6O4+,878.79,3693
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Benzyloxycarbonyls; Monocarboxylic acids and derivatives; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.759,Peptides,0.759,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,1,,,,C22H36N2O7,440.2537,Dipeptides,0.259,Amino acids and Peptides,0.962,Small peptides,0.694,C22H37N2O7+,878.42,3694
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.541,,,Prenol lipids,0.541,,,Lipids and lipid-like molecules,0.851,,,,C26H40O5,454.2684,Open-chain polyketides,0.538,Polyketides,0.584,Linear polyketides,0.419,C26H40NaO5+,878.05,3695
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.566,,,Steroids and steroid derivatives,0.566,,,Lipids and lipid-like molecules,0.865,,,,C34H50O7,570.355,Open-chain polyketides,0.196,Terpenoids,0.634,Steroids,0.146,C34H51O7+,879.75,3697
,,,,,,,,,,,,,,,,428.256,,,,,,,,879.17,3700
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.925,Amino acids and derivatives,0.739,Amino acids and derivatives,0.739,"Amino acids, peptides, and analogues",0.748,Organic acids and derivatives,0.962,,,,C24H34N6O4,470.2633,Cyclamides,0.032,Amino acids and Peptides,0.552,Oligopeptides,0.198,C24H35N6O4+,879.51,3701
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Azoles; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.803,,,Azoles,0.803,,,Organoheterocyclic compounds,0.986,,,,C21H30N6O2,398.2436,Purine alkaloids,0.068,Alkaloids,0.379,Pseudoalkaloids (transamidation),0.279,C21H31N6O2+,879,3702
,,,,,,,,,,,,,,,,934.5388,,,,,,,,881.05,3705
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.549,,,Prenol lipids,0.549,,,Lipids and lipid-like molecules,0.86,,,,C26H40O4,416.292,Open-chain polyketides,0.067,Terpenoids,0.57,Diterpenoids,0.161,C26H41O4+,881.67,3706
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.729,,,Lipids and lipid-like molecules,0.729,,,,C28H38O7,486.2602,Open-chain polyketides,0.099,Polyketides,0.518,Steroids,0.12,C28H39O7+,880.62,3709
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.667,,,Steroids and steroid derivatives,0.667,,,Lipids and lipid-like molecules,0.918,,,,C26H38O5,430.2718,Monocarbocyclic sesterterpenoids,0.338,Terpenoids,0.852,Sesterterpenoids,0.813,C26H35O3+,881.7,3714
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.632,,,Prenol lipids,0.632,,,Lipids and lipid-like molecules,0.808,,,,C26H38O5,430.272,Open-chain polyketides,0.044,Terpenoids,0.811,Triterpenoids,0.257,C26H38NaO5+,882.41,3715
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Triazines; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Aminotriazines; Amines; Organic oxides; 1,3,5-triazines; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Triazines,0.802,,,Aminotriazines,0.652,Aminotriazines,0.652,Organoheterocyclic compounds,0.695,,,,C7H24N12O4,340.2037,Aminoacids,0.108,Amino acids and Peptides,0.244,Guanidine alkaloids,0.166,C7H23N12O3+,882.6,3718
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Macrolactams; Alcohols and polyols; Macrolides and analogues; Lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Macrolide lactams; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.398,Cyclic depsipeptides,0.54,Cyclic depsipeptides,0.54,Depsipeptides,0.487,Organic acids and derivatives,0.995,,,,C44H76N4O14,884.5377,Lipopeptides,0.487,Amino acids and Peptides,0.412,Oligopeptides,0.738,C44H77N4O14+,883.37,3720
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Steroid acids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.916,,,Triterpenoids,0.645,Triterpenoids,0.645,Lipids and lipid-like molecules,0.992,,,,C26H42O5,456.285,Abeolupane triterpenoids,0.215,Terpenoids,0.999,Triterpenoids,0.967,C26H42NaO5+,882.65,3724
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.814,Oligopeptides,0.596,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.999,,,,C45H74N8O10,886.5534,Cyclic peptides,0.741,Amino acids and Peptides,0.983,Oligopeptides,0.987,C45H75N8O10+,881.46,3726
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.956,Amino acids and derivatives,0.535,Amino acids and derivatives,0.535,"Amino acids, peptides, and analogues",0.54,Organic acids and derivatives,0.977,,,,C49H78N2O12,886.5563,Open-chain polyketides,0.352,Polyketides,0.404,Macrolides,0.828,C49H79N2O12+,882.89,3727
[M + K]+,Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.939,,,Benzenoids,0.939,,,,C27H34N4O,430.2729,Carboline alkaloids,0.242,Alkaloids,0.94,Tryptophan alkaloids,0.929,C27H34KN4O+,882.85,3730
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Substituted imidazoles; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.693,Aminopyrimidines and derivatives,0.574,Aminopyrimidines and derivatives,0.574,Pyrimidines and pyrimidine derivatives,0.741,Organoheterocyclic compounds,0.969,,,,C24H36N6O6,504.2692,Purine alkaloids,0.139,Amino acids and Peptides,0.596,Oligopeptides,0.443,C24H37N6O6+,881.34,3731
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Ethers; Primary alcohols; Organooxygen compounds; Disaccharides; Acetals; Secondary alcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Disaccharides,0.615,Disaccharides,0.615,Carbohydrates and carbohydrate conjugates,0.993,Organic oxygen compounds,1,,,,C19H38O16,522.215,Disaccharides,0.479,Carbohydrates,0.743,Saccharides,0.887,C19H37O15+,881.93,3733
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.719,Amino acids and derivatives,0.618,Amino acids and derivatives,0.618,"Amino acids, peptides, and analogues",0.632,Organic acids and derivatives,0.753,,,,C24H38N6O6,506.2844,Dipeptides,0.181,Amino acids and Peptides,0.828,Oligopeptides,0.334,C24H39N6O6+,881.9,3734
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.981,Amino acids and derivatives,0.867,N-acyl-alpha amino acids and derivatives,0.557,"Amino acids, peptides, and analogues",0.877,Organic acids and derivatives,0.994,,,,C24H32N6O4,468.2484,Dipeptides,0.11,Amino acids and Peptides,0.959,Small peptides,0.519,C24H31N6O3+,883.24,3739
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.737,,,Fatty acid esters,0.531,Fatty acid esters,0.531,Lipids and lipid-like molecules,0.918,,,,C25H42O5,444.285,Monacolins and Monacolin derivatives,0.323,Polyketides,0.446,Steroids,0.215,C25H42NaO5+,883.48,3742
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Benzenoids,0.57,,,Benzenoids,0.57,,,,C26H38O6,446.2667,Ergostane steroids,0.058,Terpenoids,0.524,Steroids,0.175,C26H38NaO6+,885.79,3744
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.874,Aminopyrimidines and derivatives,0.832,Aminopyrimidines and derivatives,0.832,Pyrimidines and pyrimidine derivatives,0.859,Organoheterocyclic compounds,0.993,,,,C24H34N6O6,502.2531,Purine nucleosides,0.354,Amino acids and Peptides,0.599,Small peptides,0.154,C24H31N6O4+,884.93,3745
,,,,,,,,,,,,,,,,502.2537,,,,,,,,884.32,3746
[M - H4O2 + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Organic nitro compounds; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Nitroaromatic compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.881,Amino acids and derivatives,0.768,Amino acids and derivatives,0.768,"Amino acids, peptides, and analogues",0.778,Organic acids and derivatives,0.964,,,,C24H34N6O6,502.2542,Dipeptides,0.07,Amino acids and Peptides,0.849,Small peptides,0.379,C24H31N6O4+,885.74,3747
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.985,Peptides,0.75,Peptides,0.75,"Amino acids, peptides, and analogues",0.95,Organic acids and derivatives,0.996,,,,C41H66N14O9,898.5172,Cyclic peptides,0.43,Amino acids and Peptides,0.974,Oligopeptides,0.994,C41H67N14O9+,885.01,3751
[M + H]+,Organic compounds; Organoheterocyclic compounds; Ethers; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Trialkylamines; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.728,,,Benzenoids,0.728,,,,C35H46N4O3,570.3548,Steroidal alkaloids,0.084,Alkaloids,0.841,Pseudoalkaloids (transamidation),0.411,C35H47N4O3+,885.63,3752
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Primary alcohols; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.668,,,Fatty Acyls,0.668,,,Lipids and lipid-like molecules,0.941,,,,C21H40O5,372.288,Fatty alcohols,0.365,Fatty acids,0.827,Eicosanoids,0.624,C21H40NaO5+,887.67,3756
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.554,,,Prenol lipids,0.554,,,Lipids and lipid-like molecules,0.877,,,,C26H40O6,448.2819,Open-chain polyketides,0.791,Polyketides,0.758,Linear polyketides,0.545,C26H37O4+,888.42,3757
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; 1,2-aminoalcohols; Trialkylamines; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.777,Amino acids and derivatives,0.512,Amino acids and derivatives,0.512,"Amino acids, peptides, and analogues",0.52,Organic acids and derivatives,0.847,,,,C25H36N3O3,426.2743,Carboline alkaloids,0.018,Alkaloids,0.664,Pseudoalkaloids (transamidation),0.248,C25H37N3O3+,888.54,3758
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Alcohols and polyols; Phenols; Anisoles; Methoxyphenols; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Organooxygen compounds; Lignans, neolignans and related compounds; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Organic oxides; Methoxybenzenes; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Phenoxy compounds; Chemical entities",,,,,"Lignans, neolignans and related compounds",0.662,,,"Lignans, neolignans and related compounds",0.662,,,,C28H32O11,544.197,Arylnaphthalene and aryltetralin lignans,0.278,Shikimates and Phenylpropanoids,0.643,Lignans,0.614,C28H33O11+,886.96,3759
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.545,,,Prenol lipids,0.545,,,Lipids and lipid-like molecules,0.657,,,,C26H38O4,414.2759,Open-chain polyketides,0.152,Polyketides,0.5,Linear polyketides,0.095,C26H39O4+,887.18,3760
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Benzopyrans; Alkyl aryl ethers; Alcohols and polyols; Lactams; Piperazines; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Tertiary carboxylic acid amides; Dioxopiperazines; Carbonyl compounds; Diazinanes; Benzenoids; Indoles; N-alkylpiperazines; 1-benzopyrans; 2,2-dimethyl-1-benzopyrans; 2,5-dioxopiperazines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.896,Alpha amino acids and derivatives,0.848,"Amino acids, peptides, and analogues",0.897,Organic acids and derivatives,0.993,,,,C32H30N2O5,522.2146,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",0.975,Amino acids and Peptides,0.955,Peptide alkaloids,0.99,C32H31N2O5+,887.77,3761
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acids; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.632,,,Prenol lipids,0.632,,,Lipids and lipid-like molecules,0.828,,,,C26H40O4,416.2923,Apocarotenoids (β-),0.142,Terpenoids,0.868,Sesquiterpenoids,0.17,C26H40NaO4+,890.12,3763
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.757,,,Lipids and lipid-like molecules,0.757,,,,C25H36O5,438.2382,Open-chain polyketides,0.043,Terpenoids,0.618,Steroids,0.085,C25H36NaO5+,888.15,3764
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.801,,,Lipids and lipid-like molecules,0.801,,,,C26H38O5,452.2534,Open-chain polyketides,0.128,Terpenoids,0.696,Sesterterpenoids,0.086,C26H38NaO5+,888.53,3766
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.922,N-acyl-alpha amino acids and derivatives,0.748,"Amino acids, peptides, and analogues",0.929,Organic acids and derivatives,0.999,,,,C25H36N6O4,484.2795,Linear peptides,0.356,Amino acids and Peptides,0.968,Oligopeptides,0.593,C25H37N6O4+,888.89,3767
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters; Monoalkylamines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Phosphoethanolamines; Lysophosphatidylethanolamines; Secondary alcohols; 1-acyl-sn-glycero-3-phosphoethanolamines; Carbonyl compounds; Glycerophosphoethanolamines; Amines; Primary amines; Alkyl phosphates; Dialkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.987,Amino acids and derivatives,0.987,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,1,PE(18:2/0:0); [M+H]+ C23H45N1O7P1,nan,nan,C23H44NO7P,477.2836,Glycerophosphoethanolamines,0.998,Fatty acids,1,Glycerophospholipids,1,C23H45NO7P+,890.95,3768
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.704,,,Hydroxysteroids,0.614,Hydroxysteroids,0.614,Lipids and lipid-like molecules,0.978,,,,C26H40O5,454.2692,Fusidane triterpenoids,0.071,Terpenoids,0.988,Triterpenoids,0.689,C26H40NaO5+,891.06,3770
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Benzoic acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.972,Amino acids and derivatives,0.586,Amino acids and derivatives,0.586,"Amino acids, peptides, and analogues",0.588,Organic acids and derivatives,0.989,,,,C23H38N2O7,454.2692,Open-chain polyketides,0.02,Amino acids and Peptides,0.659,Macrolides,0.089,C23H37N2O6+,892.14,3771
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Carbonyl compounds; Cyclic ketones; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.62,,,Oxosteroids,0.637,Oxosteroids,0.637,Lipids and lipid-like molecules,0.901,Curvicollide A/B,,,C26H40O5,432.2872,Monacolins and Monacolin derivatives,0.207,Terpenoids,0.442,Steroids,0.569,C26H41O5+,890.95,3772
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,,,Dicarboxylic acids and derivatives,0.546,Dicarboxylic acids and derivatives,0.546,Organic acids and derivatives,0.994,,,,C29H42O9,534.2822,Cadinane sesquiterpenoids,0.36,Terpenoids,0.902,Sesquiterpenoids,0.912,C29H42NaO9+,891.33,3773
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Lactams; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Dioxopiperazines; Carbonyl compounds; Benzenoids; 2,5-dioxopiperazines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.962,Amino acids and derivatives,0.688,Alpha amino acids and derivatives,0.657,"Amino acids, peptides, and analogues",0.69,Organic acids and derivatives,0.974,,,,C27H22N2O4,438.1578,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",0.546,Alkaloids,0.507,Peptide alkaloids,0.846,C27H23N2O4+,891.95,3774
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Peptides,0.515,Peptides,0.515,"Amino acids, peptides, and analogues",0.986,Organic acids and derivatives,0.993,,,,C46H70N12O6,886.5545,Cyclic peptides,0.317,Amino acids and Peptides,0.882,Oligopeptides,0.875,C46H71N12O6+,891.06,3780
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.868,Amino acids and derivatives,0.725,Amino acids and derivatives,0.725,"Amino acids, peptides, and analogues",0.727,Organic acids and derivatives,0.916,,,,C25H34N6O4,482.264,Carboline alkaloids,0.027,Alkaloids,0.704,Tryptophan alkaloids,0.122,C25H35N6O4+,889.85,3785
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrroles; Indoles and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.953,Amino acids and derivatives,0.73,Amino acids and derivatives,0.73,"Amino acids, peptides, and analogues",0.743,Organic acids and derivatives,0.968,,,,C56H74N4O7,914.5485,Depsipeptides,0.339,Alkaloids,0.426,Tryptophan alkaloids,0.655,C56H75N4O7+,890.69,3786
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Monocarboxylic acids and derivatives; Carboxylic acids; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.957,Alpha amino acids and derivatives,0.859,"Amino acids, peptides, and analogues",0.957,Organic acids and derivatives,0.999,,,,C27H26N8O3,510.2149,Dipeptides,0.187,Amino acids and Peptides,0.525,Small peptides,0.526,C27H26N8NaO3+,893.54,3790
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.973,Amino acids and derivatives,0.913,N-acyl-alpha amino acids and derivatives,0.593,"Amino acids, peptides, and analogues",0.922,Organic acids and derivatives,0.993,,,,C24H34N6O6,502.2539,Cyclic peptides,0.403,Amino acids and Peptides,0.973,Oligopeptides,0.807,C24H35N6O6+,893.6,3791
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.693,,,Benzene and substituted derivatives,0.693,,,Benzenoids,0.746,,,,C36H47N3O10,681.3263,Linear peptides,0.031,Amino acids and Peptides,0.872,Oligopeptides,0.141,C36H48N3O10+,894.09,3793
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Piperazines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Diazinanes; Benzenoids; Amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.897,Amino acids and derivatives,0.78,Carbamate esters,0.508,"Amino acids, peptides, and analogues",0.785,Organic acids and derivatives,0.951,,,,C24H32N6O3,452.2534,Dipeptides,0.012,Alkaloids,0.371,Small peptides,0.083,C24H33N6O3+,894.7,3794
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.774,,,Prenol lipids,0.774,,,Lipids and lipid-like molecules,0.893,,,,C26H40O5,432.2875,Abeolupane triterpenoids,0.021,Terpenoids,0.922,Triterpenoids,0.498,C26H40NaO5+,896.02,3796
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.655,,,Prenol lipids,0.655,,,Lipids and lipid-like molecules,0.878,,,,C26H40O5,432.2869,Open-chain polyketides,0.078,Terpenoids,0.6,Triterpenoids,0.151,C26H39O4+,896.63,3798
[M + K]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid hydrazides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.978,Amino acids and derivatives,0.595,Amino acids and derivatives,0.595,"Amino acids, peptides, and analogues",0.597,Organic acids and derivatives,0.99,,,,C22H36N6O3,432.287,Polyamines,0.027,Amino acids and Peptides,0.33,Ornithine alkaloids,0.084,C22H36KN6O3+,896.02,3799
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.529,,,Prenol lipids,0.529,,,Lipids and lipid-like molecules,0.867,,,,C26H38O5,430.2716,Open-chain polyketides,0.051,Terpenoids,0.737,Steroids,0.086,C26H38NaO5+,895.05,3802
,,,,,,,,,,,,,,,,430.272,,,,,,,,897.24,3803
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Alpha amino acids; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.98,Peptides,0.539,Peptides,0.539,"Amino acids, peptides, and analogues",0.952,Organic acids and derivatives,0.995,,,,C21H41N7O11,567.2858,Linear peptides,0.506,Amino acids and Peptides,0.868,Oligopeptides,0.722,C21H42N7O11+,897.24,3806
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Dialkyl ethers; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.884,Amino acids and derivatives,0.652,Amino acids and derivatives,0.652,"Amino acids, peptides, and analogues",0.657,Organic acids and derivatives,0.957,,,,C25H36N6O4,484.2797,Open-chain polyketides,0.015,Amino acids and Peptides,0.43,Linear polyketides,0.078,C25H37N6O4+,896.63,3808
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.856,Peptides,0.856,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H68N12O6,884.5384,Cyclic peptides,0.665,Amino acids and Peptides,0.992,Oligopeptides,0.992,C46H69N12O6+,897.36,3809
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Thiazoles; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Organic carbonic acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.533,Peptides,0.533,"Amino acids, peptides, and analogues",0.987,Organic acids and derivatives,0.998,"""ethyl (R)-4-((5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate""","""InChI=1S/C26H40O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-16,18-21,24,28H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,24+,25+,26-/m1/s1""",C[C@@H]([C@H]1CC[C@]2([H])[C@]1(C)C(C[C@@]3([H])[C@@]2([H])[C@H](O)C[C@@]4([H])[C@]3(C)CCC(C4)=O)=O)CCC(OCC)=O,C49H74N8O5S,886.5535,Linear peptides,0.658,Amino acids and Peptides,0.983,Oligopeptides,1,C49H75N8O5S+,896.02,3810
,,,,,,,,,,,,,,,,412.2608,,,,,,,,895.65,3811
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.577,,,Prenol lipids,0.577,,,Lipids and lipid-like molecules,0.823,,,,C26H38O5,430.272,Open-chain polyketides,0.104,Terpenoids,0.737,Linear polyketides,0.101,C26H38NaO5+,897.84,3815
,,,,,,,,,,,,,,,,456.2849,,,,,,,,898.17,3817
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.974,Amino acids and derivatives,0.516,Amino acids and derivatives,0.516,"Amino acids, peptides, and analogues",0.525,Organic acids and derivatives,0.987,,,,C55H70N4O6,882.5251,Depsipeptides,0.135,Alkaloids,0.335,Tryptophan alkaloids,0.213,C55H71N4O6+,897.84,3820
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.936,Amino acids and derivatives,0.872,Alpha amino acids and derivatives,0.729,"Amino acids, peptides, and analogues",0.882,Organic acids and derivatives,0.953,,,,C24H34N6O4,470.2627,Tripeptides,0.131,Amino acids and Peptides,0.964,Small peptides,0.696,C24H35N6O4+,897.45,3821
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",,,,,Lipids and lipid-like molecules,0.774,,,Lipids and lipid-like molecules,0.774,,,,C26H36O5,428.256,Open-chain polyketides,0.232,Terpenoids,0.568,Linear polyketides,0.133,C26H36NaO5+,902.02,3825
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.528,,,Lipids and lipid-like molecules,0.528,,,,C26H36O5,428.2562,Open-chain polyketides,0.237,Polyketides,0.658,Linear polyketides,0.324,C26H37O5+,901.92,3827
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.547,,,Prenol lipids,0.547,,,Lipids and lipid-like molecules,0.722,,,,C26H36O5,428.2562,Open-chain polyketides,0.052,Terpenoids,0.625,Sesquiterpenoids,0.124,C26H36NaO5+,902.51,3828
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Azoles; Thioethers; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Primary amines; Tertiary amines; Dialkylthioethers; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.728,Aminopyrimidines and derivatives,0.775,Aminopyrimidines and derivatives,0.775,Pyrimidines and pyrimidine derivatives,0.748,Organoheterocyclic compounds,0.994,,,,C19H36N6O3S,428.2562,Cyclamides,0.391,Amino acids and Peptides,0.266,Oligopeptides,0.2,C19H35N6O2S+,902.15,3829
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Pyrans; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Steroid lactones; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.971,,,Steroid lactones,0.735,Steroid lactones,0.735,Lipids and lipid-like molecules,0.98,,,,C26H36O5,428.257,Bufadienolides,0.516,Terpenoids,0.995,Steroids,0.966,C26H33O3+,902.03,3830
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Benzenoids,0.622,,,Benzenoids,0.622,,,,C26H36O5,428.2561,Labdane diterpenoids,0.016,Terpenoids,0.592,Meroterpenoids,0.081,C26H35O4+,901.54,3831
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lactams; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Isoindoles and derivatives; Isoindolones; Carbonyl compounds; Benzenoids; Isoindolines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Isoindoles and derivatives,0.72,Isoindolones,0.731,Isoindolones,0.731,Isoindolines,0.749,Organoheterocyclic compounds,0.998,,,,C27H22N2O4,438.1577,Carbazole alkaloids,0.07,Alkaloids,0.781,Tryptophan alkaloids,0.216,C27H23N2O4+,902.45,3832
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.593,,,Benzenoids,0.593,,,,C20H28N3O2,342.2194,Imidazole alkaloids,0.094,Alkaloids,0.632,Tryptophan alkaloids,0.194,C20H29N3O2+,902.14,3838
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organooxygen compounds; Oxosteroids; Carbonyl compounds; 3-oxo delta-4-steroids; 3-oxosteroids; Cyclic ketones; Organic oxides; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.953,3-oxosteroids,0.909,3-oxo delta-4-steroids,0.53,Oxosteroids,0.925,Lipids and lipid-like molecules,0.938,,,,C22H26O3,338.1881,Androstane steroids,0.488,Terpenoids,0.987,Steroids,0.921,C22H27O3+,902.14,3840
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Benzoic acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Vinylogous amides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.828,,,Benzoic acids and derivatives,0.655,Benzoic acids and derivatives,0.655,Benzenoids,0.916,,,,C36H47N3O10,681.3263,Pyrimidine nucleosides,0.04,Amino acids and Peptides,0.568,Macrolides,0.246,C36H48N3O10+,901.07,3841
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.945,N-acyl-alpha amino acids,0.667,"Amino acids, peptides, and analogues",0.948,Organic acids and derivatives,0.999,,,,C23H40N2O7,456.2841,Sphingoid bases,0.104,Amino acids and Peptides,0.787,Small peptides,0.23,C23H41N2O7+,902.88,3845
,,,,,,,,,,,,,,,,430.2713,,,,,,,,905.46,3848
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.742,Dialkylarylamines,0.801,Amines,0.959,Organic nitrogen compounds,1,,,,C22H34N6O3,430.2712,Purine alkaloids,0.018,Alkaloids,0.164,Pseudoalkaloids (transamidation),0.076,C22H33N6O2+,906.06,3850
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Hydroxy acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.925,,,Triterpenoids,0.757,Triterpenoids,0.757,Lipids and lipid-like molecules,0.989,,,,C26H38O5,430.2716,Ursane and Taraxastane triterpenoids,0.203,Terpenoids,0.998,Triterpenoids,0.987,C26H38NaO5+,905.58,3851
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Unsaturated fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.737,Unsaturated fatty acids,0.573,Unsaturated fatty acids,0.573,Fatty acids and conjugates,0.513,Lipids and lipid-like molecules,0.936,,,,C26H38O5,430.2718,Open-chain polyketides,0.321,Polyketides,0.435,Sesterterpenoids,0.508,C26H35O3+,906.79,3852
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.661,,,Fatty Acyls,0.661,,,Lipids and lipid-like molecules,0.806,,,,C26H42O8,482.2877,Open-chain polyketides,0.529,Polyketides,0.763,Linear polyketides,0.323,C26H42NaO8+,905.27,3853
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Steroid acids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.827,,,Triterpenoids,0.611,Triterpenoids,0.611,Lipids and lipid-like molecules,0.994,,,,C26H40O5,432.286,Fusidane triterpenoids,0.147,Terpenoids,0.998,Triterpenoids,0.937,C26H40NaO5+,906,3855
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.662,,,Prenol lipids,0.662,,,Lipids and lipid-like molecules,0.904,,,,C26H40O5,454.2684,Open-chain polyketides,0.144,Terpenoids,0.668,Triterpenoids,0.353,C26H40NaO5+,906.64,3856
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.98,Amino acids and derivatives,0.563,Amino acids and derivatives,0.563,"Amino acids, peptides, and analogues",0.562,Organic acids and derivatives,0.988,Deltonin,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3",OCC1OC(OC2C(O)C(OC3OC(C)C(O)C(O)C3O)C(OC4CC5=CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4)OC2CO)C(O)C(O)C1O,C49H74N2O12,882.5226,Cytochalasan alkaloids,0.143,Alkaloids,0.336,Pseudoalkaloids (transamidation),0.477,C49H75N2O12+,906.55,3859
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.953,Amino acids and derivatives,0.608,Amino acids and derivatives,0.608,"Amino acids, peptides, and analogues",0.608,Organic acids and derivatives,0.974,,,,C43H70N2O11,790.4975,Polyene macrolides,0.224,Polyketides,0.558,Macrolides,0.947,C43H71N2O11+,905.67,3863
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acids; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.636,,,Prenol lipids,0.636,,,Lipids and lipid-like molecules,0.738,,,,C29H40O5,468.2875,Abeolupane triterpenoids,0.022,Terpenoids,0.831,Triterpenoids,0.165,C29H41O5+,903.98,3865
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Phenylalanine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.879,Oligopeptides,0.649,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,1,,,,C45H68N8O10,880.5054,Linear peptides,0.335,Amino acids and Peptides,0.979,Oligopeptides,0.965,C45H69N8O10+,904.96,3868
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Unsaturated fatty acids; Hydroxy fatty acids; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Very long-chain fatty acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.883,Very long-chain fatty acids,0.684,Very long-chain fatty acids,0.684,Fatty acids and conjugates,0.853,Lipids and lipid-like molecules,0.979,,,,C26H38O4,414.2756,Other Docosanoids,0.272,Fatty acids,0.934,Docosanoids,0.93,C26H39O4+,905.45,3871
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.65,,,Fatty acid esters,0.63,Fatty acid esters,0.63,Lipids and lipid-like molecules,0.831,,,,C26H42O7,466.2923,Drimane sesquiterpenoids,0.809,Terpenoids,0.908,Sesquiterpenoids,0.908,C26H42NaO7+,909.21,3878
[M + K]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.923,Amino acids and derivatives,0.896,N-acyl-alpha amino acids and derivatives,0.6,"Amino acids, peptides, and analogues",0.909,Organic acids and derivatives,0.95,,,,C22H38N6O5,466.2927,Dipeptides,0.329,Amino acids and Peptides,0.983,Small peptides,0.823,C22H38KN6O5+,908.97,3879
,,,,,,,,,,,,,,,,486.2567,,,,,,,,906.62,3882
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Peptides,0.54,Peptides,0.54,"Amino acids, peptides, and analogues",0.893,Organic acids and derivatives,0.996,,,,C55H78N4O11,970.559,Cyclic peptides,0.245,Amino acids and Peptides,0.782,Oligopeptides,0.918,C55H79N4O11+,907.15,3885
,,,,,,,,,,,,,,,,970.5325,,,,,,,,909.33,3886
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.859,Peptides,0.859,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,0.999,,,,C51H68N10O6,916.5303,Cyclic peptides,0.678,Amino acids and Peptides,0.993,Oligopeptides,0.992,C51H69N10O6+,908.73,3888
,,,,,,,,,,,,,,,,970.5326,,,,,,,,909.22,3890
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.917,Peptides,0.917,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H70N12O8,918.5443,Cyclic peptides,0.732,Amino acids and Peptides,0.996,Oligopeptides,0.996,C46H71N12O8+,907.15,3891
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.965,Amino acids and derivatives,0.685,Amino acids and derivatives,0.685,"Amino acids, peptides, and analogues",0.689,Organic acids and derivatives,0.986,,,,C24H36N6O3,456.2844,Dipeptides,0.032,Alkaloids,0.574,Small peptides,0.185,C24H37N6O3+,908.49,3892
,,,,,,,,,,,,,,,,430.2715,,,,,,,,912.52,3897
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.673,,,Hydroxysteroids,0.52,Hydroxysteroids,0.52,Lipids and lipid-like molecules,0.937,,,,C26H38O5,430.2719,Ergostane steroids,0.076,Terpenoids,0.972,Triterpenoids,0.435,C26H37O4+,912.27,3898
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.51,,,Steroids and steroid derivatives,0.51,,,Lipids and lipid-like molecules,0.897,,,,C26H38O5,430.2721,Ergostane steroids,0.027,Terpenoids,0.912,Triterpenoids,0.585,C26H38NaO5+,911.79,3900
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.521,,,Prenol lipids,0.521,,,Lipids and lipid-like molecules,0.817,,,,C26H38O5,430.2713,Open-chain polyketides,0.08,Terpenoids,0.655,Linear polyketides,0.083,C26H38NaO5+,911.66,3902
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.801,,,Hydroxysteroids,0.683,Hydroxysteroids,0.683,Lipids and lipid-like molecules,0.971,,,,C26H38O5,430.2718,Abeolupane triterpenoids,0.048,Terpenoids,0.991,Triterpenoids,0.538,C26H38NaO5+,912.15,3903
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.618,Peptides,0.618,"Amino acids, peptides, and analogues",0.978,Organic acids and derivatives,0.998,,,,C50H74N6O10,918.5445,Cyclic peptides,0.567,Amino acids and Peptides,0.94,Oligopeptides,0.993,C50H75N6O10+,911.17,3906
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Benzene and substituted derivatives,0.619,,,Benzene and substituted derivatives,0.619,,,Benzenoids,0.704,,,,C26H34O3,394.2509,Apocarotenoids (β-),0.052,Terpenoids,0.912,Carotenoids (C40),0.312,C26H35O3+,914.95,3915
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.928,Amino acids and derivatives,0.637,Amino acids and derivatives,0.637,"Amino acids, peptides, and analogues",0.643,Organic acids and derivatives,0.953,,,,C23H40N2O8,472.2794,Open-chain polyketides,0.361,Amino acids and Peptides,0.889,Linear polyketides,0.441,C23H41N2O8+,915.91,3922
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.89,Amino acids and derivatives,0.659,Amino acids and derivatives,0.659,"Amino acids, peptides, and analogues",0.677,Organic acids and derivatives,0.913,,,,C24H36N6O3,456.2845,Cyclic peptides,0.036,Amino acids and Peptides,0.788,Oligopeptides,0.391,C24H37N6O3+,915.85,3926
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; Glycosylamines; O-glycosyl compounds; Benzene and substituted derivatives; Polyols; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.641,Amino acids and derivatives,0.548,Alpha amino acids and derivatives,0.606,"Amino acids, peptides, and analogues",0.565,Organic acids and derivatives,0.733,,,,C28H46N6O10,626.3269,Purine alkaloids,0.223,Amino acids and Peptides,0.888,Oligopeptides,0.255,C28H47N6O10+,915.55,3928
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,0.999,Glycosyl compounds,0.658,O-glycosyl compounds,0.693,Carbohydrates and carbohydrate conjugates,0.932,Organic oxygen compounds,1,,,,C19H36O16,520.199,Iridoids monoterpenoids,0.503,Terpenoids,0.492,Monoterpenoids,0.774,C19H37O16+,915.31,3930
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.873,,,Triterpenoids,0.532,Triterpenoids,0.532,Lipids and lipid-like molecules,0.981,,,,C26H40O5,454.2692,Ursane and Taraxastane triterpenoids,0.171,Terpenoids,0.994,Triterpenoids,0.892,C26H40NaO5+,917.48,3937
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Diterpenoids; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.763,,,Diterpenoids,0.554,Diterpenoids,0.554,Lipids and lipid-like molecules,0.902,,,,C26H40O5,454.2691,Open-chain polyketides,0.381,Terpenoids,0.635,Linear polyketides,0.237,C26H40NaO5+,917.61,3938
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.893,Amino acids and derivatives,0.758,Carbamate esters,0.575,"Amino acids, peptides, and analogues",0.764,Organic acids and derivatives,0.908,,,,C24H34N6O3,454.2686,Dipeptides,0.022,Amino acids and Peptides,0.375,Small peptides,0.112,C24H35N6O3+,917.96,3939
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.978,Amino acids and derivatives,0.93,N-acyl-alpha amino acids and derivatives,0.527,"Amino acids, peptides, and analogues",0.937,Organic acids and derivatives,0.991,,,,C24H34N6O4,470.2641,Dipeptides,0.148,Amino acids and Peptides,0.954,Small peptides,0.579,C24H33N6O3+,920.2,3942
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Tertiary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.744,Alpha amino acids and derivatives,0.565,"Amino acids, peptides, and analogues",0.749,Organic acids and derivatives,0.995,,,,C23H38N2O8,470.2642,Open-chain polyketides,0.101,Terpenoids,0.354,Sesquiterpenoids,0.112,C23H37N2O7+,921.53,3943
[M + K]+,Organic compounds; Organoheterocyclic compounds; Organonitrogen compounds; Organooxygen compounds; Trialkylamines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.661,,,Benzene and substituted derivatives,0.661,,,Benzenoids,0.922,18Alpha-Glycyrrhetinic Acid,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1",CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C27H36N4O,432.2882,Carboline alkaloids,0.133,Alkaloids,0.918,Tryptophan alkaloids,0.244,C27H36KN4O+,920.09,3945
[M + Na]+,Organic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Ethers; Primary alcohols; Organooxygen compounds; Acetals; Secondary alcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,0.998,Glycosyl compounds,0.508,O-glycosyl compounds,0.625,Carbohydrates and carbohydrate conjugates,0.905,Organic oxygen compounds,0.999,,,,C18H38O16,510.215,Fatty alcohols,0.21,Fatty acids,0.245,Fatty acyls,0.386,C18H38NaO16+,922.04,3947
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.818,Peptides,0.818,"Amino acids, peptides, and analogues",0.99,Organic acids and derivatives,0.999,Deltonin,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3",OCC1OC(OC2C(O)C(OC3OC(C)C(O)C(O)C3O)C(OC4CC5=CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4)OC2CO)C(O)C(O)C1O,C50H70N6O8,882.5252,Cyclic peptides,0.591,Amino acids and Peptides,0.934,Oligopeptides,0.948,C50H71N6O8+,919.84,3949
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Prenol lipids,0.646,,,Prenol lipids,0.646,,,Lipids and lipid-like molecules,0.784,,,,C26H36O5,450.2387,Monocarbocyclic sesterterpenoids,0.049,Terpenoids,0.764,Sesquiterpenoids,0.147,C26H36NaO5+,920.33,3950
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Thioethers; Aminopyrimidines and derivatives; Diazines; Secondary alcohols; Carbonyl compounds; Amines; Primary amines; Tertiary amines; Sulfenyl compounds; Dialkylthioethers; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.604,Aminopyrimidines and derivatives,0.661,Aminopyrimidines and derivatives,0.661,Pyrimidines and pyrimidine derivatives,0.672,Organoheterocyclic compounds,0.99,,,,C19H38N6O3S,430.2717,Purine nucleosides,0.425,Carbohydrates,0.652,Nucleosides,0.363,C19H39N6O3S+,921.53,3951
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Depsipeptides; Cyclic depsipeptides; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.69,Cyclic depsipeptides,0.644,Cyclic depsipeptides,0.644,Depsipeptides,0.62,Organic acids and derivatives,1,,,,C38H53N7O10,767.3863,Cyclic peptides,0.409,Amino acids and Peptides,0.927,Oligopeptides,0.999,C38H54N7O10+,919.59,3956
,,,,,,,,,,,,,,,,426.2746,,,,,,,,920.92,3958
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.814,,,Prenol lipids,0.814,,,Lipids and lipid-like molecules,0.914,,,,C26H36O5,450.2386,Monocarbocyclic sesterterpenoids,0.207,Terpenoids,0.889,Sesterterpenoids,0.314,C26H36NaO5+,919.86,3959
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organooxygen compounds; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.579,,,Prenol lipids,0.579,,,Lipids and lipid-like molecules,0.754,,,,C26H36O4,412.2613,Apocarotenoids (β-),0.04,Terpenoids,0.9,Carotenoids (C40),0.27,C26H37O4+,924.85,3963
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.793,,,Hydroxysteroids,0.661,Hydroxysteroids,0.661,Lipids and lipid-like molecules,0.972,,,,C26H40O5,454.2686,Abeolupane triterpenoids,0.043,Terpenoids,0.973,Triterpenoids,0.643,C26H40NaO5+,923.97,3964
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Quaternary ammonium salts; Cholines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Phosphocholines; Lysophosphatidylcholines; 1-acyl-sn-glycero-3-phosphocholines; Secondary alcohols; Carbonyl compounds; Glycerophosphocholines; Amines; Alkyl phosphates; Dialkyl phosphates; Organic cations; Organic salts; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Glycerophospholipids,0.998,Lysophosphatidylcholines,0.966,1-acyl-sn-glycero-3-phosphocholines,0.901,Glycerophosphocholines,0.996,Lipids and lipid-like molecules,0.989,PC(18:2/0:0); [M+H]+ C26H51N1O7P1,nan,nan,C26H50NO7P,519.3319,Glycerophosphocholines,0.992,Fatty acids,1,Glycerophospholipids,1,C26H51NO7P+,924.96,3965
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Quaternary ammonium salts; Cholines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Phosphocholines; Lysophosphatidylcholines; 1-acyl-sn-glycero-3-phosphocholines; Secondary alcohols; Carbonyl compounds; Glycerophosphocholines; Amines; Alkyl phosphates; Dialkyl phosphates; Organic cations; Organic salts; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Glycerophospholipids,0.997,Lysophosphatidylcholines,0.982,1-acyl-sn-glycero-3-phosphocholines,0.945,Glycerophosphocholines,0.996,Lipids and lipid-like molecules,0.991,PC(18:2/0:0); [M+H]+ C26H51N1O7P1,nan,nan,C26H50NO7P,519.3303,Glycerophosphocholines,0.995,Fatty acids,1,Glycerophospholipids,1,C26H51NO7P+,924.85,3966
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.516,,,Steroids and steroid derivatives,0.516,,,Lipids and lipid-like molecules,0.912,,,,C26H38O5,430.2714,Ergostane steroids,0.032,Terpenoids,0.961,Triterpenoids,0.42,C26H38NaO5+,925.33,3969
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.717,,,Lipids and lipid-like molecules,0.717,,,,C26H38O5,430.272,Open-chain polyketides,0.121,Terpenoids,0.574,Linear polyketides,0.121,C26H38NaO5+,925.33,3971
,,,,,,,,,,,,,,,,430.2718,,,,,,,,924.96,3972
,,,,,,,,,,,,,,,,557.279,,,,,,,,924.6,3974
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Nucleosides, nucleotides, and analogues; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Monoalkylamines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Aminopyrimidines and derivatives; Diazines; Pentoses; Monosaccharides; Secondary alcohols; Imidazopyrimidines; Carbonyl compounds; Glycosyl compounds; Glycosylamines; Substituted imidazoles; N-substituted imidazoles; Alpha amino acids; Amines; Primary amines; Tetrahydrofurans; 6-aminopurines; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.837,Amino acids and derivatives,0.867,Alpha amino acids,0.617,"Amino acids, peptides, and analogues",0.873,Organic acids and derivatives,0.918,,,,C21H41N7O11,567.2851,Purine nucleosides,0.911,Carbohydrates,0.996,Nucleosides,0.986,C21H42N7O11+,926.33,3976
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.592,,,Lipids and lipid-like molecules,0.592,,,,C44H54N4O3,686.4198,Open-chain polyketides,0.079,Alkaloids,0.659,Linear polyketides,0.343,C44H55N4O3+,925.46,3979
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Hydroxy acids and derivatives,0.649,,,Hydroxy acids and derivatives,0.649,,,Organic acids and derivatives,0.998,,,,C26H42O8,482.2877,Cadinane sesquiterpenoids,0.591,Terpenoids,0.943,Sesquiterpenoids,0.861,C26H42NaO8+,927.74,3981
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carbonyl compounds; 3-oxosteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.83,3-oxosteroids,0.522,3-oxosteroids,0.522,Oxosteroids,0.704,Lipids and lipid-like molecules,0.978,,,,C26H38O4,414.2768,Ophiobolane sesterterpenoids,0.105,Terpenoids,0.976,Steroids,0.563,C26H37O3+,928.17,3983
,,,,,,,,,,,,,,,,414.2771,,,,,,,,928.66,3985
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Diazines,0.901,Aminopyrimidines and derivatives,0.848,Aminopyrimidines and derivatives,0.848,Pyrimidines and pyrimidine derivatives,0.893,Organoheterocyclic compounds,0.998,,,,C24H34N6O4,470.2634,Purine alkaloids,0.387,Alkaloids,0.716,Pseudoalkaloids (transamidation),0.235,C24H35N6O4+,927.92,3986
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.798,,,Benzenoids,0.798,,,,C56H72N2O7,884.5364,Cytochalasan alkaloids,0.186,Alkaloids,0.528,Pseudoalkaloids (transamidation),0.64,C56H73N2O7+,926.51,3988
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.765,,,Prenol lipids,0.765,,,Lipids and lipid-like molecules,0.924,,,,C26H40O5,432.287,Oleanane triterpenoids,0.021,Terpenoids,0.951,Triterpenoids,0.244,C26H40NaO5+,927.06,3993
[M + H]+,Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Benzenoids,0.666,,,Benzenoids,0.666,,,,C17H23NO3,289.1677,Piperidine alkaloids,0.106,Alkaloids,0.916,Pseudoalkaloids (transamidation),0.21,C17H24NO3+,927.44,3994
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.828,Peptides,0.828,"Amino acids, peptides, and analogues",0.996,Organic acids and derivatives,0.999,,,,C46H70N12O6,886.553,Cyclic peptides,0.542,Amino acids and Peptides,0.991,Oligopeptides,0.99,C46H71N12O6+,926.7,3996
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.786,N-acyl-alpha amino acids and derivatives,0.624,"Amino acids, peptides, and analogues",0.807,Organic acids and derivatives,0.999,,,,C25H43N3O9,529.3014,Lipopeptides,0.15,Amino acids and Peptides,0.632,Oligopeptides,0.71,C25H44N3O9+,927.31,3998
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Carboxylic acids and derivatives,0.938,,,Dicarboxylic acids and derivatives,0.558,Dicarboxylic acids and derivatives,0.558,Organic acids and derivatives,0.95,,,,C26H38O6,446.2668,Drimane sesquiterpenoids,0.102,Terpenoids,0.845,Sesquiterpenoids,0.729,C26H39O6+,929.41,4001
,,,,,,,,,,,,,,,,918.5426,,,,,,,,927.8,4002
[M + K]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Diazinanes; Amines; Secondary amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.81,Dialkylarylamines,0.671,Amines,0.98,Organic nitrogen compounds,1,,,,C19H38N6O3S,430.2718,Cyclamides,0.086,Alkaloids,0.17,Oligopeptides,0.06,C19H38KN6O3S+,930.23,4003
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyridines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.952,Amino acids and derivatives,0.869,Carbamate esters,0.707,"Amino acids, peptides, and analogues",0.87,Organic acids and derivatives,0.984,,,,C24H30N6O3,450.238,Aminoacids,0.029,Alkaloids,0.422,Small peptides,0.136,C24H31N6O3+,929.91,4005
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.946,Amino acids and derivatives,0.695,Amino acids and derivatives,0.695,"Amino acids, peptides, and analogues",0.709,Organic acids and derivatives,0.958,,,,C24H34N6O3,454.2686,Dipeptides,0.039,Amino acids and Peptides,0.703,Small peptides,0.243,C24H35N6O3+,931.26,4006
[M + Na]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters; Monoalkylamines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Phosphoethanolamines; Lysophosphatidylethanolamines; Secondary alcohols; 1-acyl-sn-glycero-3-phosphoethanolamines; Carbonyl compounds; Glycerophosphoethanolamines; Amines; Primary amines; Alkyl phosphates; Dialkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.983,Amino acids and derivatives,0.983,"Amino acids, peptides, and analogues",0.984,Organic acids and derivatives,1,Spectral Match to 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine from NIST14,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O,C21H44NO7P,475.2673,Glycerophosphoethanolamines,1,Fatty acids,1,Glycerophospholipids,1,C21H44NNaO7P+,929.39,4009
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.658,Peptides,0.658,"Amino acids, peptides, and analogues",0.979,Organic acids and derivatives,0.997,,,,C24H34N6O5,486.2589,Cyclic peptides,0.343,Amino acids and Peptides,0.993,Oligopeptides,0.914,C24H35N6O5+,933.89,4017
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.943,Amino acids and derivatives,0.738,Amino acids and derivatives,0.738,"Amino acids, peptides, and analogues",0.74,Organic acids and derivatives,0.98,,,,C24H28N6O3,448.2226,Purine alkaloids,0.02,Amino acids and Peptides,0.471,Small peptides,0.103,C24H29N6O3+,933.51,4021
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.793,,,Lipids and lipid-like molecules,0.793,,,,C28H44O9,524.2981,Drimane sesquiterpenoids,0.142,Terpenoids,0.661,Sesquiterpenoids,0.263,C28H44NaO9+,934.14,4025
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.947,Peptides,0.533,Peptides,0.533,"Amino acids, peptides, and analogues",0.842,Organic acids and derivatives,0.972,,,,C24H40N6O7,524.2938,Linear peptides,0.584,Amino acids and Peptides,0.859,Oligopeptides,0.927,C24H39N6O6+,934.88,4028
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.709,Alpha amino acids and derivatives,0.623,"Amino acids, peptides, and analogues",0.717,Organic acids and derivatives,0.999,,,,C23H38N2O7,454.2692,Open-chain polyketides,0.06,Amino acids and Peptides,0.917,Linear polyketides,0.131,C23H39N2O7+,934.76,4029
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.516,,,Prenol lipids,0.516,,,Lipids and lipid-like molecules,0.725,,,,C26H36O5,428.2557,Ergostane steroids,0.02,Terpenoids,0.782,Triterpenoids,0.096,C26H36NaO5+,936.86,4034
,,,,,,,,,,,,,,,,916.6224,,,,,,,,939.56,4035
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Carboxylic acid amides; Amino fatty acids; Carboxylic acid derivatives; N-acyl amines; Benzyloxycarbonyls; Monocarboxylic acids and derivatives; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,1,Peptides,0.841,Peptides,0.841,"Amino acids, peptides, and analogues",0.998,Organic acids and derivatives,1,,,,C23H40N2O7,456.2844,Tripeptides,0.321,Amino acids and Peptides,0.967,Small peptides,0.792,C23H41N2O7+,939.26,4036
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.654,,,Lipids and lipid-like molecules,0.654,,,,C26H36N3O7,502.2537,Open-chain polyketides,0.174,Amino acids and Peptides,0.699,Linear polyketides,0.404,C26H37N3O7+,940.64,4037
,,,,,,,,,,,,,,,,502.255,,,,,,,,939.77,4039
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.63,,,Fatty acid esters,0.582,Fatty acid esters,0.582,Lipids and lipid-like molecules,0.8,,,,C26H38O7,462.2613,Drimane sesquiterpenoids,0.241,Terpenoids,0.799,Sesquiterpenoids,0.35,C26H39O7+,940.57,4041
[M + H]+,Organic compounds; Alkyl aryl ethers; Anisoles; Ethers; Organooxygen compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Phenoxy compounds; Chemical entities,Phenol ethers,0.708,,,Anisoles,0.642,Anisoles,0.642,Benzenoids,0.99,,,,C15H18O2,230.1304,Cinnamic acids and derivatives,0.112,Shikimates and Phenylpropanoids,0.673,Sesquiterpenoids,0.259,C15H19O2+,937.87,4042
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.952,Oligopeptides,0.918,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,1,,,,C24H36N8O10,596.2561,Cyclic peptides,0.848,Amino acids and Peptides,0.996,Oligopeptides,0.993,C24H37N8O10+,938.24,4043
,,,,,,,,,,,,,,,,954.5686,,,,,,,,940.01,4044
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Organic phosphoric acids and derivatives; Phosphate esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.689,,,Lipids and lipid-like molecules,0.689,,,,C21H39O7P,434.2432,Glycerophosphates,0.29,Fatty acids,0.878,Glycerophospholipids,0.766,C21H40O7P+,940.64,4045
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.975,,,"Amino acids, peptides, and analogues",0.502,"Amino acids, peptides, and analogues",0.502,Organic acids and derivatives,0.994,,,,C30H38N4O5,534.2823,Depsipeptides,0.12,Polyketides,0.517,Oligopeptides,0.497,C30H39N4O5+,937.74,4047
,,,,,,,,,,,,,,,,602.3264,,,,,,,,938.41,4048
[M - H4O2 + H]+,"Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Bile acids, alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.959,,,"Bile acids, alcohols and derivatives",0.638,"Bile acids, alcohols and derivatives",0.638,Lipids and lipid-like molecules,0.974,,,,C26H36O5,428.2566,Cholane steroids,0.23,Terpenoids,0.989,Steroids,0.906,C26H33O3+,942.47,4050
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.825,,,Lipids and lipid-like molecules,0.825,,,,C26H36O5,428.2559,Ergostane steroids,0.023,Terpenoids,0.893,Triterpenoids,0.144,C26H36NaO5+,942.72,4051
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.76,,,Lipids and lipid-like molecules,0.76,,,,C26H36O5,428.2561,Open-chain polyketides,0.067,Terpenoids,0.712,Linear polyketides,0.058,C26H36NaO5+,942.35,4053
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.691,,,Steroids and steroid derivatives,0.691,,,Lipids and lipid-like molecules,0.95,,,,C26H36O5,428.2558,Ergostane steroids,0.064,Terpenoids,0.963,Triterpenoids,0.322,C26H35O4+,942.47,4054
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.625,,,Lipids and lipid-like molecules,0.625,,,,C26H36O5,428.256,Tetraketide meroterpenoids,0.047,Terpenoids,0.714,Triterpenoids,0.384,C26H36NaO5+,942.47,4055
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Benzenoids,0.509,,,Benzenoids,0.509,,,,C26H36O5,428.2561,Open-chain polyketides,0.456,Polyketides,0.815,Linear polyketides,0.402,C26H35O4+,942.47,4056
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Amino acids and derivatives,0.784,N-acyl-alpha amino acids and derivatives,0.549,"Amino acids, peptides, and analogues",0.792,Organic acids and derivatives,0.999,,,,C23H38N2O9,486.2589,Open-chain polyketides,0.121,Amino acids and Peptides,0.705,Linear polyketides,0.191,C23H39N2O9+,941.98,4058
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.868,N-acyl-alpha amino acids,0.705,"Amino acids, peptides, and analogues",0.876,Organic acids and derivatives,0.999,,,,C23H42N2O7,458.3,Open-chain polyketides,0.046,Amino acids and Peptides,0.95,Small peptides,0.133,C23H43N2O7+,941.91,4061
[M + K]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Pyrans; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy acids and derivatives; Steroidal glycosides; Carboxylic acid derivatives; Oxosteroids; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Monosaccharides; Acetals; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Oxanes; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.825,,,Steroidal glycosides,0.536,Steroidal glycosides,0.536,Lipids and lipid-like molecules,0.961,,,,C29H44O10,552.2938,"Lanostane, Tirucallane and Euphane triterpenoids",0.144,Terpenoids,0.931,Triterpenoids,0.506,C29H44KO10+,941.86,4064
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Oxanes; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Hydroxy acids and derivatives,0.565,,,Hydroxy acids and derivatives,0.565,,,Organic acids and derivatives,0.994,,,,C29H44O10,552.2926,Cadinane sesquiterpenoids,0.11,Terpenoids,0.769,Triterpenoids,0.418,C29H44NaO10+,941.98,4065
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.501,,,Steroids and steroid derivatives,0.501,,,Lipids and lipid-like molecules,0.875,,,,C26H38O5,452.2534,Ergostane steroids,0.117,Terpenoids,0.894,Steroids,0.214,C26H38NaO5+,942.63,4066
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Phenols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Phenols,0.662,,,Phenols,0.662,,,Benzenoids,0.85,,,,C29H38O7,498.2611,Prenyl quinone meroterpenoids,0.082,Polyketides,0.836,Meroterpenoids,0.169,C29H39O7+,942.65,4068
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Benzenoids,0.565,,,Benzenoids,0.565,,,,C26H38O5,430.2711,Prenyl quinone meroterpenoids,0.029,Terpenoids,0.614,Meroterpenoids,0.402,C26H37O4+,944.87,4073
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Macrolactams; Alcohols and polyols; Macrolides and analogues; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Macrolide lactams; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.424,Cyclic depsipeptides,0.566,Cyclic depsipeptides,0.566,Depsipeptides,0.415,Organic acids and derivatives,0.995,,,,C49H85N3O14,939.6046,Lipopeptides,0.794,Amino acids and Peptides,0.721,Oligopeptides,0.82,C49H86N3O14+,942.76,4074
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.677,,,Lipids and lipid-like molecules,0.677,,,,C56H72N2O9,916.5281,Cytochalasan alkaloids,0.211,Polyketides,0.234,Macrolides,0.659,C56H73N2O9+,943.1,4078
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.961,Amino acids and derivatives,0.602,Amino acids and derivatives,0.602,"Amino acids, peptides, and analogues",0.605,Organic acids and derivatives,0.978,,,,C56H74N2O10,934.5377,Open-chain polyketides,0.379,Polyketides,0.382,Macrolides,0.851,C56H75N2O10+,943.99,4081
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary carboxylic acid amides; Carbonyl compounds; Tricarboxylic acids and derivatives; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.985,Amino acids and derivatives,0.768,Alpha amino acid esters,0.536,"Amino acids, peptides, and analogues",0.77,Organic acids and derivatives,0.995,Deltonin,"InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3",OCC1OC(OC2C(O)C(OC3OC(C)C(O)C(O)C3O)C(OC4CC5=CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4)OC2CO)C(O)C(O)C1O,C49H74N2O12,882.5226,Antimycins,0.082,Amino acids and Peptides,0.468,Macrolides,0.825,C49H75N2O12+,944.75,4084
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.927,Amino acids and derivatives,0.702,Amino acids and derivatives,0.702,"Amino acids, peptides, and analogues",0.719,Organic acids and derivatives,0.944,,,,C24H36N6O2,440.2899,Cyclic peptides,0.037,Amino acids and Peptides,0.459,Oligopeptides,0.24,C24H37N6O2+,944.62,4088
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Peptides,0.72,Peptides,0.72,"Amino acids, peptides, and analogues",0.958,Organic acids and derivatives,1,,,,C28H50N6O8,598.3695,Cyclic peptides,0.532,Amino acids and Peptides,0.989,Oligopeptides,0.955,C28H51N6O8+,945.34,4091
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.546,,,Prenol lipids,0.546,,,Lipids and lipid-like molecules,0.717,,,,C26H36O5,468.2484,Limonoids,0.03,Terpenoids,0.777,Triterpenoids,0.258,C26H36NaO5+,947.37,4093
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acids; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.943,Amino acids and derivatives,0.672,Amino acids and derivatives,0.672,"Amino acids, peptides, and analogues",0.676,Organic acids and derivatives,0.967,,,,C24H32N6O3,452.2535,Dipeptides,0.046,Amino acids and Peptides,0.541,Small peptides,0.326,C24H33N6O3+,947.36,4096
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.967,Amino acids and derivatives,0.569,Amino acids and derivatives,0.569,"Amino acids, peptides, and analogues",0.575,Organic acids and derivatives,0.989,,,,C28H40N2O12,596.2564,Polyene macrolides,0.067,Polyketides,0.453,Macrolides,0.871,C28H41N2O12+,947.37,4097
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.59,Amino acids and derivatives,0.59,"Amino acids, peptides, and analogues",0.601,Organic acids and derivatives,0.992,,,,C30H38N4O5,534.2824,Open-chain polyketides,0.251,Amino acids and Peptides,0.803,Linear polyketides,0.447,C30H39N4O5+,948.25,4100
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.969,Peptides,0.83,Oligopeptides,0.625,"Amino acids, peptides, and analogues",0.961,Organic acids and derivatives,0.989,,,,C25H36N6O6,516.2718,Linear peptides,0.34,Amino acids and Peptides,0.972,Oligopeptides,0.973,C25H37N6O6+,946.11,4101
,,,,,,,,,,,,,,,,430.3058,,,,,,,,948.63,4104
,,,,,,,,,,,,,,,,472.243,,,,,,,,948.57,4105
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Benzenoids,0.605,,,Benzenoids,0.605,,,,C26H34O5,426.2395,Tetraketide meroterpenoids,0.036,Terpenoids,0.74,Meroterpenoids,0.13,C26H34NaO5+,951.69,4112
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Phenols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; 1-hydroxy-4-unsubstituted benzenoids; Chemical entities,Phenols,0.882,,,1-hydroxy-2-unsubstituted benzenoids,0.859,1-hydroxy-2-unsubstituted benzenoids,0.859,Benzenoids,0.96,,,,C24H34O4,386.2455,Cannabinoids,0.478,Terpenoids,0.864,Meroterpenoids,0.701,C24H33O3+,950.97,4113
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.961,Amino acids and derivatives,0.873,N-acyl-alpha amino acids and derivatives,0.622,"Amino acids, peptides, and analogues",0.886,Organic acids and derivatives,0.967,,,,C24H36N6O4,472.279,Linear peptides,0.127,Amino acids and Peptides,0.988,Oligopeptides,0.702,C24H37N6O4+,950.49,4115
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Steroid acids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.853,,,Triterpenoids,0.624,Triterpenoids,0.624,Lipids and lipid-like molecules,0.993,,,,C26H40O5,472.2796,"Lanostane, Tirucallane and Euphane triterpenoids",0.118,Terpenoids,0.998,Triterpenoids,0.951,C26H40NaO5+,950.65,4116
,,,,,,,,,,,,,,,,550.3342,,,,,,,,951.49,4117
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Amines; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.502,Peptides,0.502,"Amino acids, peptides, and analogues",0.955,Organic acids and derivatives,0.999,,,,C24H36N6O6,504.2697,Cyclic peptides,0.198,Amino acids and Peptides,0.982,Small peptides,0.654,C24H37N6O6+,949.91,4119
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Ketones; Alkyl aryl ethers; Lactams; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.923,3-alkylindoles,0.502,3-alkylindoles,0.502,Indoles,0.849,Organoheterocyclic compounds,1,,,,C31H28N2O4,492.2037,Carbazole alkaloids,0.044,Alkaloids,0.713,Peptide alkaloids,0.328,C31H29N2O4+,950.89,4122
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Glycerophosphates; Alkyl phosphates; Monoalkyl phosphates; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Glycerophospholipids,0.981,,,Glycerophosphates,0.733,Glycerophosphates,0.733,Lipids and lipid-like molecules,0.964,,,,C20H43O10P,474.2591,Glycerophosphates,0.642,Fatty acids,0.999,Glycerophospholipids,0.999,C20H44O10P+,950.86,4124
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Steroid esters; Carbonyl compounds; 3-oxosteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.912,,,Steroid esters,0.725,Steroid esters,0.725,Lipids and lipid-like molecules,0.938,,,,C26H36O3,396.2669,Pregnane steroids,0.2,Terpenoids,0.953,Steroids,0.731,C26H37O3+,949.87,4125
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.947,Amino acids and derivatives,0.819,Alpha amino acids and derivatives,0.658,"Amino acids, peptides, and analogues",0.83,Organic acids and derivatives,0.974,,,,C24H34N6O5,486.2583,Cyclic peptides,0.05,Amino acids and Peptides,0.771,Oligopeptides,0.604,C24H35N6O5+,952.56,4132
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.651,,,Steroids and steroid derivatives,0.651,,,Lipids and lipid-like molecules,0.947,,,,C27H42O5,468.285,Spirostane steroids,0.026,Terpenoids,0.918,Steroids,0.274,C27H42NaO5+,952.66,4134
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Imidazoles; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Oxanes; Glycosyl compounds; Glycosylamines; O-glycosyl compounds; Benzene and substituted derivatives; Polyols; Benzenoids; Amines; 6-alkylaminopurines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.998,Monosaccharides,0.908,Hexoses,0.626,Carbohydrates and carbohydrate conjugates,0.991,Organic oxygen compounds,0.999,,,,C26H46N6O10,602.3278,Purine alkaloids,0.767,Amino acids and Peptides,0.795,Pseudoalkaloids (transamidation),0.598,C26H47N6O10+,953.42,4137
[M - H2O + H]+,"Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.691,Peptides,0.691,"Amino acids, peptides, and analogues",0.959,Organic acids and derivatives,0.998,,,,C22H44N6O8S,552.2915,Linear peptides,0.483,Amino acids and Peptides,0.784,Oligopeptides,0.969,C22H43N6O7S+,954.81,4138
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Lactams; Beta lactams; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Thioethers; Carboxylic acids; Carbonyl compounds; Alpha amino acids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.944,Amino acids and derivatives,0.903,Alpha amino acids,0.553,"Amino acids, peptides, and analogues",0.906,Organic acids and derivatives,0.99,,,,C19H26N4O7S,454.1536,Cyclamides,0.224,Amino acids and Peptides,0.946,β-lactams,0.509,C19H27N4O7S+,954.1,4141
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.583,,,Indoles,0.588,Indoles,0.588,Organoheterocyclic compounds,0.941,,,,C32H30N2O5,522.2151,Cytochalasan alkaloids,0.056,Alkaloids,0.879,Tryptophan alkaloids,0.605,C32H30N2NaO5+,956.2,4142
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Pyrroles; Alkyl aryl ethers; Lactams; Piperazines; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Tertiary carboxylic acid amides; Dioxopiperazines; Carbonyl compounds; Diazinanes; Benzenoids; Indoles; 2,2-dimethyl-1-benzopyrans; 2,5-dioxopiperazines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Benzopyrans,0.286,"2,2-dimethyl-1-benzopyrans",0.573,"2,2-dimethyl-1-benzopyrans",0.573,1-benzopyrans,0.333,Organoheterocyclic compounds,1,,,,C32H30N2O5,522.2152,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",0.742,Amino acids and Peptides,0.665,Peptide alkaloids,0.811,C32H31N2O5+,956.18,4143
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Substituted imidazoles; N-acyl-alpha amino acids; Amines; Primary amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.784,Oligopeptides,0.624,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.997,,,,C21H38N5O6,456.2836,Tripeptides,0.34,Amino acids and Peptides,0.975,Small peptides,0.751,C21H39N5O6+,955.48,4148
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Ketones; Alkyl aryl ethers; Phenols; Lactams; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Isoindoles and derivatives; Isoindolones; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.931,Alpha amino acids and derivatives,0.895,"Amino acids, peptides, and analogues",0.931,Organic acids and derivatives,0.998,,,,C28H32NO7,494.2202,Isoindole alkaloids,0.774,Alkaloids,0.555,Pseudoalkaloids (transamidation),0.799,C28H33NO7+,958.06,4149
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Ketones; Aldehydes; Indoles and derivatives; Organonitrogen compounds; Organooxygen compounds; Carbonyl compounds; Substituted pyrroles; Benzenoids; Indoles; Aryl-aldehydes; Aryl ketones; Vinylogous amides; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.901,,,Indoles,0.887,Indoles,0.887,Organoheterocyclic compounds,0.999,,,,C14H13NO,211.0997,Simple indole alkaloids,0.787,Alkaloids,0.988,Tryptophan alkaloids,0.836,C14H14NO+,956.32,4151
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.655,,,Hydroxysteroids,0.598,Hydroxysteroids,0.598,Lipids and lipid-like molecules,0.975,folinic_acid,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1",C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,C26H40O5,454.269,Abeolupane triterpenoids,0.073,Terpenoids,0.994,Triterpenoids,0.898,C26H40NaO5+,955.32,4156
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Carboxylic acids and derivatives,0.979,,,Dicarboxylic acids and derivatives,0.534,Dicarboxylic acids and derivatives,0.534,Organic acids and derivatives,0.992,,,,C29H42O9,534.2824,"Lanostane, Tirucallane and Euphane triterpenoids",0.162,Terpenoids,0.919,Triterpenoids,0.668,C29H42NaO9+,959.71,4158
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Macrolides and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Oxanes; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Macrolides and analogues,0.505,,,Macrolides and analogues,0.505,,,Phenylpropanoids and polyketides,0.276,,,,C29H42O9,534.2829,Open-chain polyketides,0.19,Polyketides,0.83,Macrolides,0.735,C29H41O8+,959.96,4159
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.559,,,Lipids and lipid-like molecules,0.559,,,,C26H36O4,412.2612,Open-chain polyketides,0.072,Polyketides,0.592,Diterpenoids,0.112,C26H37O4+,959.71,4161
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.622,,,Steroids and steroid derivatives,0.622,,,Lipids and lipid-like molecules,0.896,,,,C26H36O4,412.2612,Ergostane steroids,0.215,Terpenoids,0.62,Steroids,0.322,C26H35O3+,959.32,4162
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.694,,,Prenol lipids,0.694,,,Lipids and lipid-like molecules,0.871,,,,C26H36O4,412.2612,Apocarotenoids (β-),0.121,Terpenoids,0.906,Carotenoids (C40),0.251,C26H36NaO4+,958.82,4164
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Tricarboxylic acids and derivatives; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.705,Alpha amino acids and derivatives,0.791,"Amino acids, peptides, and analogues",0.709,Organic acids and derivatives,0.997,,,,C49H72N2O11,864.5132,Lipopeptides,0.079,Amino acids and Peptides,0.724,Macrolides,0.699,C49H73N2O11+,958.85,4165
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.706,Oligopeptides,0.539,"Amino acids, peptides, and analogues",0.983,Organic acids and derivatives,1,,,,C45H72N8O12,916.5286,Cyclic peptides,0.677,Amino acids and Peptides,0.972,Oligopeptides,0.997,C45H73N8O12+,958.44,4166
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Diazines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.923,Amino acids and derivatives,0.853,Alpha amino acid amides,0.666,"Amino acids, peptides, and analogues",0.867,Organic acids and derivatives,0.968,,,,C24H36N6O5,488.2742,Linear peptides,0.314,Amino acids and Peptides,0.833,Oligopeptides,0.682,C24H37N6O5+,958.29,4168
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Branched fatty acids; Hydroxy fatty acids; Amino acids and derivatives; Hydroxy acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Beta hydroxy acids and derivatives; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Amino acids and derivatives,0.799,N-acyl-alpha amino acids,0.509,"Amino acids, peptides, and analogues",0.805,Organic acids and derivatives,0.999,,,,C23H38N2O7,454.2686,Dipeptides,0.027,Amino acids and Peptides,0.521,Small peptides,0.076,C23H39N2O7+,959.71,4170
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acids; Carboxylic acid esters; Monosaccharides; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Aminosaccharides; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.864,N-acyl amines,0.812,N-acyl amines,0.812,Fatty amides,0.797,Lipids and lipid-like molecules,0.896,,,,C49H74N2O11,866.5279,Polyene macrolides,0.385,Fatty acids,0.466,Macrolides,0.729,C49H75N2O11+,958.97,4172
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.985,Amino acids and derivatives,0.746,Alpha amino acids and derivatives,0.681,"Amino acids, peptides, and analogues",0.772,Organic acids and derivatives,0.996,,,,C28H40N6O8,588.2906,Cyclic peptides,0.433,Amino acids and Peptides,0.972,Oligopeptides,0.915,C28H41N6O8+,958.69,4177
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Azoles; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Thioethers; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Peptides,0.831,Peptides,0.831,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.997,,,,C38H72N14O8S,884.5382,Linear peptides,0.662,Amino acids and Peptides,0.988,Oligopeptides,0.999,C38H73N14O8S+,959.96,4178
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.512,,,Steroids and steroid derivatives,0.512,,,Lipids and lipid-like molecules,0.875,,,,C26H38O6,446.2666,Open-chain polyketides,0.041,Terpenoids,0.807,Triterpenoids,0.142,C26H38NaO6+,960.4,4179
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.761,,,Lipids and lipid-like molecules,0.761,,,,C26H38O5,452.2545,Open-chain polyketides,0.209,Terpenoids,0.458,Linear polyketides,0.153,C26H38NaO5+,960.34,4180
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Benzopyrans; Alkyl aryl ethers; Lactams; Piperazines; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Tertiary carboxylic acid amides; Dioxopiperazines; Carbonyl compounds; Diazinanes; Benzenoids; Indoles; N-alkylpiperazines; 1-benzopyrans; 2,2-dimethyl-1-benzopyrans; 2,5-dioxopiperazines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.94,Alpha amino acids and derivatives,0.924,"Amino acids, peptides, and analogues",0.941,Organic acids and derivatives,0.999,,,,C32H30N2O5,522.2151,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",0.989,Amino acids and Peptides,0.978,Peptide alkaloids,0.981,C32H31N2O5+,961.08,4184
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.891,Peptides,0.891,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,0.998,,,,C46H66N12O6,882.5231,Cyclic peptides,0.729,Amino acids and Peptides,0.99,Oligopeptides,0.985,C46H67N12O6+,960.47,4186
,,,,,,,,,,,,,,,,514.3115,,,,,,,,960.84,4188
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carbamate esters; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Amino acids and derivatives,0.91,Carbamate esters,0.513,"Amino acids, peptides, and analogues",0.919,Organic acids and derivatives,0.999,,,,C23H36N2O7,452.2537,Open-chain polyketides,0.211,Amino acids and Peptides,0.9,Oligopeptides,0.295,C23H37N2O7+,960.59,4190
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.945,Amino acids and derivatives,0.622,Alpha amino acids and derivatives,0.606,"Amino acids, peptides, and analogues",0.63,Organic acids and derivatives,0.983,,,,C29H28N4O7,544.1968,Carboline alkaloids,0.093,Alkaloids,0.659,Tryptophan alkaloids,0.372,C29H29N4O7+,961.58,4195
,,,,,,,,,,,,,,,,456.2845,,,,,,,,963.85,4196
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Thiazoles; Alcohols and polyols; Macrolides and analogues; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Alpha amino acid esters; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Macrolide lactams; 2,4-disubstituted thiazoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.917,Alpha amino acid esters,0.52,"Amino acids, peptides, and analogues",0.926,Organic acids and derivatives,0.998,,,,C35H64N2O8S,672.4393,Depsipeptides,0.155,Amino acids and Peptides,0.815,Oligopeptides,0.971,C35H65N2O8S+,962.18,4197
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbamate esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.959,Amino acids and derivatives,0.88,Carbamate esters,0.572,"Amino acids, peptides, and analogues",0.887,Organic acids and derivatives,0.986,,,,C24H28N6O4,464.2171,Dipeptides,0.216,Amino acids and Peptides,0.905,Small peptides,0.778,C24H29N6O4+,963.6,4198
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.531,,,Steroids and steroid derivatives,0.531,,,Lipids and lipid-like molecules,0.891,,,,C26H40O5,454.2692,Monocarbocyclic sesterterpenoids,0.156,Terpenoids,0.917,Sesterterpenoids,0.263,C26H40NaO5+,961.59,4203
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.582,,,Steroids and steroid derivatives,0.582,,,Lipids and lipid-like molecules,0.853,Curvicollide A/B,,,C26H40O5,432.2874,Ergostane steroids,0.107,Terpenoids,0.74,Steroids,0.444,C26H41O5+,965.61,4205
,,,,,,,,,,,,,,,,432.2872,,,,,,,,965.36,4206
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.835,,,Hydroxysteroids,0.693,Hydroxysteroids,0.693,Lipids and lipid-like molecules,0.978,folinic_acid,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1",C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,C26H40O5,432.2873,"Lanostane, Tirucallane and Euphane triterpenoids",0.053,Terpenoids,0.983,Triterpenoids,0.718,C26H40NaO5+,962.97,4207
,,,,,,,,,,,,,,,,432.2876,,,,,,,,964.74,4209
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.661,,,Hydroxysteroids,0.544,Hydroxysteroids,0.544,Lipids and lipid-like molecules,0.952,,,,C26H40O5,432.287,Monocarbocyclic sesterterpenoids,0.092,Terpenoids,0.881,Sesterterpenoids,0.43,C26H39O4+,965.74,4210
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.778,,,Hydroxysteroids,0.712,Hydroxysteroids,0.712,Lipids and lipid-like molecules,0.981,,,,C26H40O5,432.2871,"Lanostane, Tirucallane and Euphane triterpenoids",0.335,Terpenoids,0.987,Triterpenoids,0.795,C26H40NaO5+,965.12,4211
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.548,,,Fatty Acyls,0.548,,,Lipids and lipid-like molecules,0.777,,,,C28H40O7,488.2748,Open-chain polyketides,0.104,Terpenoids,0.496,Diterpenoids,0.255,C28H41O7+,965.38,4212
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.866,N-acyl-alpha amino acids and derivatives,0.557,"Amino acids, peptides, and analogues",0.873,Organic acids and derivatives,0.997,,,,C23H40N2O7,456.2834,Open-chain polyketides,0.034,Amino acids and Peptides,0.984,Small peptides,0.276,C23H41N2O7+,964.49,4214
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.567,Peptides,0.567,"Amino acids, peptides, and analogues",0.974,Organic acids and derivatives,0.998,,,,C24H32N6O4,468.2485,Cyclic peptides,0.409,Amino acids and Peptides,0.985,Oligopeptides,0.809,C24H33N6O4+,965.12,4216
,,,,,,,,,,,,,,,,984.5395,,,,,,,,967.21,4219
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Depsipeptides; Cyclic depsipeptides; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.512,Cyclic depsipeptides,0.508,Cyclic depsipeptides,0.508,Depsipeptides,0.5,Organic acids and derivatives,0.999,,,,C45H68N8O10,880.5071,Depsipeptides,0.237,Amino acids and Peptides,0.877,Oligopeptides,0.997,C45H69N8O10+,966.82,4221
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lactones; Pyrans; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Cyclohexenones; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Ketones,0.716,Cyclohexenones,0.541,Carbonyl compounds,0.907,Organic oxygen compounds,1,,,,C26H34O5,426.2405,Azaphilones,0.612,Polyketides,0.712,Linear polyketides,0.359,C26H35O5+,967.46,4224
,,,,,,,,,,,,,,,,936.5964,,,,,,,,968.2,4227
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Organic carbonic acids and derivatives; Carbamate esters; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.973,Amino acids and derivatives,0.904,Carbamate esters,0.86,"Amino acids, peptides, and analogues",0.904,Organic acids and derivatives,0.993,,,,C24H28N6O4,464.2167,Purine alkaloids,0.043,Amino acids and Peptides,0.542,Small peptides,0.114,C24H29N6O4+,967.45,4228
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.902,Oligopeptides,0.713,"Amino acids, peptides, and analogues",0.99,Organic acids and derivatives,0.999,,,,C27H36N6O7,556.2658,Cyclic peptides,0.636,Amino acids and Peptides,0.998,Oligopeptides,0.976,C27H37N6O7+,967.21,4231
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.963,Peptides,0.78,Oligopeptides,0.639,"Amino acids, peptides, and analogues",0.943,Organic acids and derivatives,0.991,,,,C25H36N6O6,516.2719,Cyclic peptides,0.489,Amino acids and Peptides,0.981,Oligopeptides,0.963,C25H37N6O6+,967.79,4232
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.613,,,Fatty Acyls,0.613,,,Lipids and lipid-like molecules,0.783,,,,C26H40O7,464.2771,Open-chain polyketides,0.456,Polyketides,0.718,Linear polyketides,0.194,C26H40NaO7+,969.06,4233
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.655,,,Prenol lipids,0.655,,,Lipids and lipid-like molecules,0.894,,,,C26H38O4,414.2767,Beyerane diterpenoids,0.076,Terpenoids,0.951,Diterpenoids,0.426,C26H38NaO4+,970.1,4235
,,,,,,,,,,,,,,,,896.488,,,,,,,,969.79,4240
,,,,,,,,,,,,,,,,848.5453,,,,,,,,971.15,4244
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Dialkyl ethers; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.73,Amino acids and derivatives,0.811,Carbamate esters,0.876,"Amino acids, peptides, and analogues",0.812,Organic acids and derivatives,0.832,,,,C24H32N6O3,452.2534,Pyrroloindole alkaloids,0.042,Alkaloids,0.738,Tryptophan alkaloids,0.092,C24H33N6O3+,970.53,4245
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.813,,,Triterpenoids,0.544,Triterpenoids,0.544,Lipids and lipid-like molecules,0.989,,,,C26H42O5,434.3033,Abeolupane triterpenoids,0.135,Terpenoids,0.998,Triterpenoids,0.883,C26H42NaO5+,971.88,4247
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.798,N-acyl-alpha amino acids,0.52,"Amino acids, peptides, and analogues",0.817,Organic acids and derivatives,0.998,,,,C27H38N6O8,574.2747,Cyclic peptides,0.46,Amino acids and Peptides,0.955,Oligopeptides,0.893,C27H39N6O8+,971.51,4252
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.78,Amino acids and derivatives,0.678,Alpha amino acids and derivatives,0.51,"Amino acids, peptides, and analogues",0.687,Organic acids and derivatives,0.884,,,,C22H32N6O3,428.2552,Dipeptides,0.154,Amino acids and Peptides,0.575,Small peptides,0.413,C22H33N6O3+,975.23,4255
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Ethers; Organooxygen compounds; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Glycosyl compounds,0.739,O-glycosyl compounds,0.795,Carbohydrates and carbohydrate conjugates,0.967,Organic oxygen compounds,1,,,,C22H42O17,578.241,Polysaccharides,0.265,Carbohydrates,0.656,Saccharides,0.721,C22H43O17+,972.9,4258
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Alkyl phosphates; Monoalkyl phosphates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Glycerophospholipids,0.766,,,Glycerophospholipids,0.766,,,Lipids and lipid-like molecules,0.941,,,,C21H43O8P,454.2692,Glycerophosphates,0.169,Fatty acids,0.946,Glycerophospholipids,0.984,C21H44O8P+,974.01,4260
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.754,,,Steroids and steroid derivatives,0.754,,,Lipids and lipid-like molecules,0.947,,,,C26H40O5,454.2693,Ergostane steroids,0.066,Terpenoids,0.819,Steroids,0.435,C26H40NaO5+,973.89,4261
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Quaternary ammonium salts; Cholines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Phosphocholines; Lysophosphatidylcholines; 1-acyl-sn-glycero-3-phosphocholines; Secondary alcohols; Carbonyl compounds; Glycerophosphocholines; Amines; Alkyl phosphates; Dialkyl phosphates; Organic cations; Organic salts; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Glycerophospholipids,0.995,Lysophosphatidylcholines,0.946,1-acyl-sn-glycero-3-phosphocholines,0.943,Glycerophosphocholines,0.991,Lipids and lipid-like molecules,0.969,PC(0:0/16:0); [M+H]+ C24H51N1O7P1,nan,nan,C24H50NO7P,495.3315,Glycerophosphocholines,0.998,Fatty acids,0.998,Glycerophospholipids,1,C24H51NO7P+,975.26,4263
[M + K]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.524,,,Prenol lipids,0.524,,,Lipids and lipid-like molecules,0.799,,,,C26H40O5,432.2863,Open-chain polyketides,0.04,Terpenoids,0.468,Diterpenoids,0.1,C26H40KO5+,975.73,4264
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.666,,,Prenol lipids,0.666,,,Lipids and lipid-like molecules,0.89,,,,C26H40O5,432.2875,Open-chain polyketides,0.277,Terpenoids,0.471,Linear polyketides,0.211,C26H40NaO5+,975.48,4265
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Organooxygen compounds; Oxosteroids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.674,,,Hydroxysteroids,0.63,Hydroxysteroids,0.63,Lipids and lipid-like molecules,0.943,,,,C26H40O5,432.2873,Open-chain polyketides,0.067,Terpenoids,0.917,Sesterterpenoids,0.208,C26H39O4+,975.85,4266
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Imidazoles; Lactams; Piperazines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Diazines; Tertiary carboxylic acid amides; Carbonyl compounds; Diazinanes; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.933,Amino acids and derivatives,0.667,Amino acids and derivatives,0.667,"Amino acids, peptides, and analogues",0.666,Organic acids and derivatives,0.964,,,,C23H36N6O2,428.2902,Purine alkaloids,0.583,Alkaloids,0.791,Pseudoalkaloids (transamidation),0.335,C23H37N6O2+,975.97,4268
,,,,,,,,,,,,,,,,936.5971,,,,,,,,975.72,4269
,,,,,,,,,,,,,,,,716.4669,,,,,,,,974.49,4271
,,,,,,,,,,,,,,,,980.623,,,,,,,,974.68,4272
,,,,,,,,,,,,,,,,892.5708,,,,,,,,977.09,4278
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Carboxylic acids and derivatives,0.81,Carboxylic acid esters,0.606,Carboxylic acid esters,0.606,Carboxylic acid derivatives,0.817,Organic acids and derivatives,0.954,,,,C29H49NO8,539.346,Open-chain polyketides,0.382,Polyketides,0.791,Macrolides,0.621,C29H49NNaO8+,977.74,4280
,,,,,,,,,,,,,,,,848.5447,,,,,,,,978.59,4282
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.597,,,Fatty acid esters,0.534,Fatty acid esters,0.534,Lipids and lipid-like molecules,0.838,,,,C28H40O7,488.2775,Cadinane sesquiterpenoids,0.116,Terpenoids,0.722,Sesquiterpenoids,0.313,C28H41O7+,979.48,4287
,,,,,,,,,,,,,,,,804.5196,,,,,,,,979.95,4289
,,,,,,,,,,,,,,,,452.2536,,,,,,,,980.18,4292
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.963,Amino acids and derivatives,0.903,Alpha amino acids and derivatives,0.743,"Amino acids, peptides, and analogues",0.914,Organic acids and derivatives,0.989,,,,C35H54N6O7,670.4045,Cyclic peptides,0.192,Amino acids and Peptides,0.952,Oligopeptides,0.931,C35H55N6O7+,981.02,4294
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.76,,,Hydroxysteroids,0.606,Hydroxysteroids,0.606,Lipids and lipid-like molecules,0.966,,,,C26H40O5,432.2872,"Lanostane, Tirucallane and Euphane triterpenoids",0.035,Terpenoids,0.954,Triterpenoids,0.397,C26H40NaO5+,981.74,4296
,,,,,,,,,,,,,,,,430.2715,,,,,,,,983.02,4298
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Trialkylamines; Amines; Tertiary amines; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.978,Amino acids and derivatives,0.827,Amino acids and derivatives,0.827,"Amino acids, peptides, and analogues",0.828,Organic acids and derivatives,0.987,,,,C25H40N2O10,528.2695,Erythromycins,0.152,Alkaloids,0.558,Pseudoalkaloids (transamidation),0.256,C25H41N2O10+,982.11,4299
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Imidazoles; Alcohols and polyols; Purines and purine derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Azoles; Aminopyrimidines and derivatives; Diazines; Imidazopyrimidines; Benzene and substituted derivatives; Substituted imidazoles; N-substituted imidazoles; Benzenoids; Amines; Primary amines; 6-aminopurines; Imidolactams; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Imidazopyrimidines,0.65,6-aminopurines,0.774,6-aminopurines,0.774,Purines and purine derivatives,0.66,Organoheterocyclic compounds,0.986,,,,C22H34N6O4,446.266,Purine nucleosides,0.335,Amino acids and Peptides,0.27,Nucleosides,0.341,C22H35N6O4+,982.95,4300
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.947,Amino acids and derivatives,0.836,Alpha amino acids and derivatives,0.667,"Amino acids, peptides, and analogues",0.85,Organic acids and derivatives,0.983,,,,C35H54N6O7,670.405,Cyclic peptides,0.111,Amino acids and Peptides,0.938,Oligopeptides,0.825,C35H55N6O7+,981.75,4303
,,,,,,,,,,,,,,,,760.4928,,,,,,,,981.39,4307
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.987,Amino acids and derivatives,0.681,N-acyl-alpha amino acids and derivatives,0.598,"Amino acids, peptides, and analogues",0.697,Organic acids and derivatives,0.994,,,,C24H38N3O5,448.2822,Open-chain polyketides,0.241,Amino acids and Peptides,0.919,Linear polyketides,0.328,C24H39N3O5+,985.27,4311
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.816,Amino acids and derivatives,0.653,Amino acids and derivatives,0.653,"Amino acids, peptides, and analogues",0.674,Organic acids and derivatives,0.825,,,,C24H34N6O5,486.259,Tripeptides,0.06,Amino acids and Peptides,0.852,Small peptides,0.411,C24H35N6O5+,984.55,4312
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.71,,,Hydroxysteroids,0.554,Hydroxysteroids,0.554,Lipids and lipid-like molecules,0.955,,,,C26H42O5,456.2839,Open-chain polyketides,0.027,Terpenoids,0.91,Steroids,0.253,C26H42NaO5+,984.54,4315
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.979,Peptides,0.682,Peptides,0.682,"Amino acids, peptides, and analogues",0.924,Organic acids and derivatives,0.996,,,,C28H40N6O8,588.2911,Cyclic peptides,0.219,Amino acids and Peptides,0.992,Oligopeptides,0.922,C28H41N6O8+,985.39,4317
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Neutral glycosphingolipids; Simple glycosylceramides; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Fatty acyl glycosides; Carbonyl compounds; Oxanes; Glycosyl compounds; Alkyl glycosides; O-glycosyl compounds; N-acyl-alpha-hexosamines; Glycosphingolipids; Aminosaccharides; Fatty Acyls; Acetamides; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Glycosyl-N-acylsphingosines; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sphingolipids,0.937,Neutral glycosphingolipids,0.943,Glycosyl-N-acylsphingosines,0.943,Glycosphingolipids,0.951,Lipids and lipid-like molecules,0.963,,,,C56H72N2O9,916.5281,Neutral glycosphingolipids,0.941,Fatty acids,0.942,Spingolipids,0.974,C56H73N2O9+,984.63,4319
,,,,,,,,,,,,,,,,902.5491,,,,,,,,984.49,4321
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.84,Alpha amino acids and derivatives,0.736,"Amino acids, peptides, and analogues",0.84,Organic acids and derivatives,0.998,,,,C23H34N2O8,466.2331,Antimycins,0.09,Amino acids and Peptides,0.917,Small peptides,0.111,C23H35N2O8+,984.17,4323
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.877,Amino acids and derivatives,0.668,Amino acids and derivatives,0.668,"Amino acids, peptides, and analogues",0.673,Organic acids and derivatives,0.929,,,,C23H36N6O2,428.2899,Pyrroloindole alkaloids,0.027,Alkaloids,0.525,Tryptophan alkaloids,0.099,C23H37N6O2+,983.93,4324
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.855,N-acyl-alpha amino acids and derivatives,0.524,"Amino acids, peptides, and analogues",0.868,Organic acids and derivatives,0.993,,,,C27H36N6O7,556.2634,Cyclic peptides,0.229,Amino acids and Peptides,0.955,Oligopeptides,0.788,C27H37N6O7+,985.77,4329
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Dialkyl ethers; Carboxylic acids; Secondary alcohols; Carbonyl compounds; Oxanes; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.69,,,Lipids and lipid-like molecules,0.69,,,,C52H80O12,896.5629,Polyether ionophores,0.665,Polyketides,0.994,Polyethers,0.88,C52H77O10+,989.95,4333
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Macrolides and analogues; Ethers; Prenol lipids; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Oxanes; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Macrolides and analogues,0.782,,,Macrolides and analogues,0.782,,,Phenylpropanoids and polyketides,0.535,,,,C52H80O12,896.5648,Polyene macrolides,0.871,Polyketides,0.984,Macrolides,0.953,C52H81O12+,989.83,4335
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Macrolides and analogues; Lactams; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.959,Alpha amino acids and derivatives,0.927,"Amino acids, peptides, and analogues",0.968,Organic acids and derivatives,0.998,,,,C53H76N4O8,896.5634,Depsipeptides,0.693,Polyketides,0.729,Oligopeptides,0.994,C53H75N4O7+,990.18,4336
,,,,,,,,,,,,,,,,914.5738,,,,,,,,990.05,4337
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.574,Peptides,0.574,"Amino acids, peptides, and analogues",0.978,Organic acids and derivatives,0.998,,,,C37H54N6O6,678.4112,Cyclic peptides,0.272,Amino acids and Peptides,0.995,Oligopeptides,0.991,C37H55N6O6+,989.61,4338
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Hydroxamic acids; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.923,N-acyl-alpha amino acids and derivatives,0.67,"Amino acids, peptides, and analogues",0.939,Organic acids and derivatives,0.999,,,,C30H58N6O11,678.4135,Cyclic peptides,0.75,Amino acids and Peptides,0.923,Oligopeptides,0.979,C30H59N6O11+,989.83,4339
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Valine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.642,Peptides,0.642,"Amino acids, peptides, and analogues",0.974,Organic acids and derivatives,0.997,,,,C37H54N6O6,678.4111,Cyclic peptides,0.561,Amino acids and Peptides,0.988,Oligopeptides,0.991,C37H53N6O5+,989.95,4340
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Cyclic peptides; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.63,Cyclic peptides,0.504,"Amino acids, peptides, and analogues",0.968,Organic acids and derivatives,0.998,,,,C37H54N6O6,678.4122,Cyclic peptides,0.597,Amino acids and Peptides,0.934,Oligopeptides,0.997,C37H55N6O6+,989.95,4342
,,,,,,,,,,,,,,,,970.5319,,,,,,,,989.11,4343
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Aminopyrimidines and derivatives; Diazines; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Imidolactams; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.756,Amino acids and derivatives,0.765,Alpha amino acid amides,0.554,"Amino acids, peptides, and analogues",0.787,Organic acids and derivatives,0.831,,,,C24H36N6O5,488.275,Tripeptides,0.106,Amino acids and Peptides,0.774,Oligopeptides,0.565,C24H37N6O5+,987.95,4346
,,,,,,,,,,,,,,,,970.5321,,,,,,,,989.36,4347
,,,,,,,,,,,,,,,,550.3344,,,,,,,,994.93,4357
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Macrolides and analogues; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Amino acids and derivatives,0.726,Alpha amino acids and derivatives,0.582,"Amino acids, peptides, and analogues",0.752,Organic acids and derivatives,0.999,,,,C24H40N3O6,466.293,Open-chain polyketides,0.489,Polyketides,0.662,Oligopeptides,0.714,C24H39N3O5+,994.95,4361
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Substituted imidazoles; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.968,Amino acids and derivatives,0.901,N-acyl-alpha amino acids and derivatives,0.593,"Amino acids, peptides, and analogues",0.911,Organic acids and derivatives,0.99,,,,C27H36N6O7,556.2633,Dipeptides,0.136,Amino acids and Peptides,0.94,Oligopeptides,0.751,C27H37N6O7+,994.07,4363
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.661,,,Lipids and lipid-like molecules,0.661,,,,C40H64O10,704.4485,Open-chain polyketides,0.17,Polyketides,0.932,Polyethers,0.355,C40H65O10+,993.92,4366
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.868,,,Triterpenoids,0.607,Triterpenoids,0.607,Lipids and lipid-like molecules,0.986,,,,C26H42O5,456.2845,Ursane and Taraxastane triterpenoids,0.147,Terpenoids,0.997,Triterpenoids,0.932,C26H42NaO5+,994.16,4368
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Ketones; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.746,,,Lipids and lipid-like molecules,0.746,,,,C26H36O5,450.238,Open-chain polyketides,0.028,Terpenoids,0.8,Diterpenoids,0.161,C26H36NaO5+,994.64,4369
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Ethers; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Benzenoids; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.574,Dialkylarylamines,0.633,Amines,0.959,Organic nitrogen compounds,1,,,,C24H34N6O4,470.2645,Purine alkaloids,0.041,Alkaloids,0.35,Small peptides,0.069,C24H35N6O4+,995.62,4373
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.71,Cyclic depsipeptides,0.686,Cyclic depsipeptides,0.686,Depsipeptides,0.603,Organic acids and derivatives,0.999,,,,C45H76N8O13,936.5542,Lipopeptides,0.716,Amino acids and Peptides,0.93,Oligopeptides,0.998,C45H77N8O13+,995.38,4377
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.67,,,Prenol lipids,0.67,,,Lipids and lipid-like molecules,0.879,schizandrin,"InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1",COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2,C26H38O5,430.2717,Ergostane steroids,0.033,Terpenoids,0.92,Triterpenoids,0.341,C26H38NaO5+,996.98,4378
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Carboximidamides; Organic 1,3-dipolar compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Peptides,0.789,Peptides,0.789,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.999,,,,C41H70N14O10,918.5442,Linear peptides,0.485,Amino acids and Peptides,0.989,Oligopeptides,0.999,C41H69N14O9+,996.85,4379
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Ketones; Alcohols and polyols; Macrolides and analogues; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.983,Amino acids and derivatives,0.643,Amino acids and derivatives,0.643,"Amino acids, peptides, and analogues",0.652,Organic acids and derivatives,0.995,,,,C49H78N2O14,918.5454,Polyene macrolides,0.299,Polyketides,0.493,Macrolides,0.928,C49H79N2O14+,995.74,4380
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.726,,,Prenol lipids,0.726,,,Lipids and lipid-like molecules,0.904,,,,C26H38O5,430.2718,Monocarbocyclic sesterterpenoids,0.056,Terpenoids,0.914,Sesterterpenoids,0.202,C26H38NaO5+,999.23,4389
,,,,,,,,,,,,,,,,430.2717,,,,,,,,998.74,4390
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Azoles; Thioethers; Carbonyl compounds; Amines; Dialkylthioethers; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Azoles,0.68,,,Azoles,0.68,,,Organoheterocyclic compounds,0.99,,,,C19H38N6O3S,430.2716,Cyclamides,0.252,Amino acids and Peptides,0.227,Oligopeptides,0.3,C19H39N6O3S+,998.99,4392
,,,,,,,,,,,,,,,,486.2584,,,,,,,,998.47,4393
,,,,,,,,,,,,,,,,504.2701,,,,,,,,997.61,4394
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.974,Amino acids and derivatives,0.605,Alpha amino acids and derivatives,0.576,"Amino acids, peptides, and analogues",0.611,Organic acids and derivatives,0.992,,,,C49H74N2O12,882.5231,Antimycins,0.245,Amino acids and Peptides,0.712,Macrolides,0.839,C49H75N2O12+,999.35,4395
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Tetrazoles; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.959,Amino acids and derivatives,0.812,N-acyl-alpha amino acids and derivatives,0.572,"Amino acids, peptides, and analogues",0.827,Organic acids and derivatives,0.966,,,,C24H36N6O3,456.2844,Tripeptides,0.143,Amino acids and Peptides,0.767,Oligopeptides,0.424,C24H37N6O3+,999.59,4396
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.963,Amino acids and derivatives,0.786,Amino acids and derivatives,0.786,"Amino acids, peptides, and analogues",0.792,Organic acids and derivatives,0.989,,,,C24H30N6O4,466.233,Dipeptides,0.018,Amino acids and Peptides,0.726,Oligopeptides,0.104,C24H31N6O4+,998.49,4397
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; N-acylpyrrolidines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.988,Amino acids and derivatives,0.854,Alpha amino acids and derivatives,0.816,"Amino acids, peptides, and analogues",0.868,Organic acids and derivatives,0.991,,,,C55H74N4O6,886.5535,Linear peptides,0.158,Amino acids and Peptides,0.438,Oligopeptides,0.894,C55H75N4O6+,1000,4398
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyridines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carbonyl compounds; Benzene and substituted derivatives; Diazinanes; Benzenoids; Amines; Tertiary amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.828,Amino acids and derivatives,0.828,"Amino acids, peptides, and analogues",0.832,Organic acids and derivatives,0.99,,,,C24H34N6O3,454.2691,Dipeptides,0.046,Amino acids and Peptides,0.615,Small peptides,0.359,C24H35N6O3+,998.49,4401
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrroles; Lactams; Piperazines; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Tertiary carboxylic acid amides; Dioxopiperazines; Carbonyl compounds; Diazinanes; Benzenoids; Indoles; 2,5-dioxopiperazines; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.969,Amino acids and derivatives,0.558,Amino acids and derivatives,0.558,"Amino acids, peptides, and analogues",0.555,Organic acids and derivatives,0.986,,,,C32H30N2O5,522.2139,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",0.822,Amino acids and Peptides,0.793,Peptide alkaloids,0.923,C32H31N2O5+,998.21,4402
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.958,Amino acids and derivatives,0.916,Alpha amino acids and derivatives,0.813,"Amino acids, peptides, and analogues",0.927,Organic acids and derivatives,0.986,,,,C24H36N6O5,488.2737,Cyclic peptides,0.163,Amino acids and Peptides,0.947,Oligopeptides,0.794,C24H37N6O5+,1001.05,4410
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Quaternary ammonium salts; Cholines; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Phosphocholines; Lysophosphatidylcholines; 1-acyl-sn-glycero-3-phosphocholines; Secondary alcohols; Carbonyl compounds; Glycerophosphocholines; Amines; Alkyl phosphates; Dialkyl phosphates; Organic cations; Organic salts; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Tetraalkylammonium salts; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Glycerophospholipids,0.999,Lysophosphatidylcholines,0.971,1-acyl-sn-glycero-3-phosphocholines,0.941,Glycerophosphocholines,0.997,Lipids and lipid-like molecules,0.984,PC(0:0/18:1); [M+H]+ C26H53N1O7P1,nan,nan,C26H52NO7P,521.3476,Glycerophosphocholines,0.997,Fatty acids,1,Glycerophospholipids,1,C26H53NO7P+,1004.35,4415
[M + Na]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.977,Peptides,0.63,Peptides,0.63,"Amino acids, peptides, and analogues",0.894,Organic acids and derivatives,0.994,,,,C26H42N6O8,566.3085,Cyclic peptides,0.565,Amino acids and Peptides,0.987,Oligopeptides,0.949,C26H42N6NaO8+,1004.81,4417
,,,,,,,,,,,,,,,,902.5537,,,,,,,,1003.46,4420
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.684,Alpha amino acids and derivatives,0.553,"Amino acids, peptides, and analogues",0.704,Organic acids and derivatives,0.996,,,,C30H38N4O5,534.2823,Cyclic peptides,0.105,Amino acids and Peptides,0.926,Oligopeptides,0.584,C30H39N4O5+,1007.51,4428
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.612,Amino acids and derivatives,0.612,"Amino acids, peptides, and analogues",0.62,Organic acids and derivatives,0.991,,,,C23H40N2O8,472.2798,Open-chain polyketides,0.369,Amino acids and Peptides,0.38,Linear polyketides,0.336,C23H41N2O8+,1010.75,4430
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrroles; Lactams; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Tertiary carboxylic acid amides; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.897,Amino acids and derivatives,0.539,Amino acids and derivatives,0.539,"Amino acids, peptides, and analogues",0.542,Organic acids and derivatives,0.949,,,,C28H26N8O4,538.2096,Quinazoline alkaloids,0.358,Alkaloids,0.916,Anthranilic acid alkaloids,0.333,C28H27N8O4+,1012.06,4431
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Thioethers; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Carboximidamides; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Azacyclic compounds; Methionine and derivatives; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.908,Amino acids and derivatives,0.852,Alpha amino acid amides,0.608,"Amino acids, peptides, and analogues",0.867,Organic acids and derivatives,0.968,,,,C19H42N6O4S,450.2979,Linear peptides,0.286,Amino acids and Peptides,0.977,Oligopeptides,0.905,C19H41N6O3S+,1010.89,4432
,,,,,,,,,,,,,,,,948.4532,,,,,,,,1011.17,4435
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Pyrroles; Lactams; Indoles and derivatives; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Cyclic peptides; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.692,Cyclic peptides,0.653,"Amino acids, peptides, and analogues",0.985,Organic acids and derivatives,0.999,,,,C40H43N5O8,721.3131,Cyclic peptides,0.676,Amino acids and Peptides,0.602,Oligopeptides,0.972,C40H42N5O7+,1014.63,4441
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Alcohols and polyols; Ethers; Organic acids and derivatives; Organonitrogen compounds; Aminoglycosides; Primary alcohols; Organooxygen compounds; Guanidines; Monoalkylamines; Cyclic alcohols and derivatives; Monosaccharides; Acetals; Secondary alcohols; Aminocyclitol glycosides; 1,2-aminoalcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Amines; Primary amines; Alkanolamines; Cyclitols and derivatives; Aminocyclitols and derivatives; Cyclohexanols; Cyclohexylamines; Aminosaccharides; 4,6-disubstituted 2-deoxystreptamines; 2-deoxystreptamine aminoglycosides; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Organooxygen compounds,0.996,Aminosaccharides,0.962,"4,6-disubstituted 2-deoxystreptamines",0.514,Carbohydrates and carbohydrate conjugates,0.969,Organic oxygen compounds,0.999,,,,C21H41N7O11,567.2858,Aminoglycosides,0.933,Carbohydrates,0.986,Aminosugars and aminoglycosides,0.816,C21H40N7O10+,1016.22,4444
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Alkyl aryl ethers; Lactams; Indoles and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.816,,,Indoles,0.708,Indoles,0.708,Organoheterocyclic compounds,0.997,,,,C32H28N2O4,504.2042,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",0.114,Alkaloids,0.832,Tryptophan alkaloids,0.524,C32H29N2O4+,1015.9,4446
,,,,,,,,,,,,,,,,550.3476,,,,,,,,1017.76,4448
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.722,3-hydroxysteroids,0.592,3-hydroxysteroids,0.592,Hydroxysteroids,0.688,Lipids and lipid-like molecules,0.946,,,,C26H40O5,432.2873,Monocarbocyclic sesterterpenoids,0.128,Terpenoids,0.855,Sesterterpenoids,0.392,C26H39O4+,1020.31,4451
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Steroid acids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.797,,,Triterpenoids,0.531,Triterpenoids,0.531,Lipids and lipid-like molecules,0.991,,,,C26H40O5,432.2872,Abeolupane triterpenoids,0.128,Terpenoids,0.997,Triterpenoids,0.891,C26H40NaO5+,1021.16,4452
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.603,,,Prenol lipids,0.603,,,Lipids and lipid-like molecules,0.93,,,,C26H40O5,432.2874,Open-chain polyketides,0.069,Terpenoids,0.678,Sesterterpenoids,0.367,C26H37O3+,1020.31,4454
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.655,Dialkylarylamines,0.542,Amines,0.922,Organic nitrogen compounds,1,,,,C24H38N6O2,442.3059,Purine alkaloids,0.111,Alkaloids,0.934,Pseudoalkaloids (transamidation),0.605,C24H39N6O2+,1020.31,4458
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.595,,,Fatty acid esters,0.637,Fatty acid esters,0.637,Lipids and lipid-like molecules,0.808,,,,C29H42O9,534.2823,Drimane sesquiterpenoids,0.083,Terpenoids,0.714,Sesquiterpenoids,0.423,C29H43O9+,1020.35,4463
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Fatty Acyls,0.597,,,Fatty Acyls,0.597,,,Lipids and lipid-like molecules,0.819,,,,C26H40O6,448.282,Drimane sesquiterpenoids,0.679,Terpenoids,0.828,Sesquiterpenoids,0.792,C26H40NaO6+,1023.1,4464
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Alkyl aryl ethers; Lactams; Indoles and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.78,,,Indoles,0.705,Indoles,0.705,Organoheterocyclic compounds,0.999,Cochliodinol,,,C32H30N2O4,506.2202,Carbazole alkaloids,0.106,Alkaloids,0.895,Peptide alkaloids,0.604,C32H31N2O4+,1025.93,4470
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.808,,,Triterpenoids,0.544,Triterpenoids,0.544,Lipids and lipid-like molecules,0.993,,,,C26H40O5,432.2873,Fusidane triterpenoids,0.165,Terpenoids,0.998,Triterpenoids,0.924,C26H40NaO5+,1027.68,4471
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.673,,,Benzene and substituted derivatives,0.673,,,Benzenoids,0.625,,,,C27H40N4O3,468.3082,Open-chain polyketides,0.062,Alkaloids,0.605,Linear polyketides,0.173,C27H40N4NaO3+,1025.42,4472
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Pyrroles; Phenols; Lactams; Indoles and derivatives; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Substituted pyrroles; Benzene and substituted derivatives; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.955,Amino acids and derivatives,0.698,Alpha amino acids and derivatives,0.685,"Amino acids, peptides, and analogues",0.716,Organic acids and derivatives,0.975,,,,C42H48N4O10,768.3385,Cyclic peptides,0.222,Amino acids and Peptides,0.558,Oligopeptides,0.689,C42H49N4O10+,1026.99,4474
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Ketones; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.665,Amino acids and derivatives,0.665,"Amino acids, peptides, and analogues",0.676,Organic acids and derivatives,0.996,,,,C55H68N4O11,960.4872,Depsipeptides,0.104,Polyketides,0.35,Oligopeptides,0.567,C55H69N4O11+,1027.17,4479
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.716,,,Hydroxysteroids,0.674,Hydroxysteroids,0.674,Lipids and lipid-like molecules,0.961,,,,C26H40O5,432.2874,"Lanostane, Tirucallane and Euphane triterpenoids",0.1,Terpenoids,0.979,Triterpenoids,0.542,C26H40NaO5+,1028.72,4483
,,,,,,,,,,,,,,,,960.4871,,,,,,,,1029.01,4485
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Ketones; Lactams; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Isoindoles and derivatives; Isoindolones; Carbonyl compounds; Benzenoids; Isoindolines; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Isoindoles and derivatives,0.539,Isoindolones,0.545,Isoindolones,0.545,Isoindolines,0.556,Organoheterocyclic compounds,0.998,,,,C32H28N2O5,520.1989,Cytochalasan alkaloids,0.362,Alkaloids,0.889,Pseudoalkaloids (transamidation),0.172,C32H29N2O5+,1029.18,4486
,,,,,,,,,,,,,,,,434.2434,,,,,,,,1028.52,4490
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Lactams; Indoles and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.725,,,Indoles,0.575,Indoles,0.575,Organoheterocyclic compounds,0.999,Cochliodinol,,,C32H30N2O4,506.2199,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",0.333,Alkaloids,0.881,Peptide alkaloids,0.815,C32H31N2O4+,1031.89,4494
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Imidolactams; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.84,Amino acids and derivatives,0.66,Amino acids and derivatives,0.66,"Amino acids, peptides, and analogues",0.66,Organic acids and derivatives,0.918,,,,C24H30N6O3,450.2379,Imidazole alkaloids,0.051,Alkaloids,0.677,Tryptophan alkaloids,0.136,C24H31N6O3+,1031.01,4499
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lactams; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Pyrrolidones; Carboxylic acid imides; Isoindoles and derivatives; Isoindolones; Carbonyl compounds; Benzenoids; Isoindolines; Pyrrolidine-2-ones; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Isoindoles and derivatives,0.802,Isoindolones,0.811,Isoindolones,0.811,Isoindolines,0.814,Organoheterocyclic compounds,0.997,,,,C27H22N2O4,438.1577,Carbazole alkaloids,0.065,Alkaloids,0.719,Tryptophan alkaloids,0.211,C27H23N2O4+,1031.45,4502
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrroles; Lactams; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Monocarboxylic acids and derivatives; Carboxylic acids; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.978,Amino acids and derivatives,0.574,Amino acids and derivatives,0.574,"Amino acids, peptides, and analogues",0.573,Organic acids and derivatives,0.988,,,,C28H26N8O3,522.2145,Other indole diketopiperazine alkaloids,0.117,Alkaloids,0.785,Tryptophan alkaloids,0.185,C28H27N8O3+,1036.38,4512
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Oxanes; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Oxanes,0.632,,,Oxanes,0.632,,,Organoheterocyclic compounds,0.965,,,,C23H36O11S,520.1993,Macrolide lactones,0.33,Polyketides,0.597,Macrolides,0.866,C23H37O11S+,1036.99,4515
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.757,,,Oxosteroids,0.655,Oxosteroids,0.655,Lipids and lipid-like molecules,0.975,,,,C26H38O4,414.2767,"Lanostane, Tirucallane and Euphane triterpenoids",0.034,Terpenoids,0.961,Triterpenoids,0.252,C26H39O4+,1040.13,4521
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Piperazines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Diazinanes; Piperazine carboxylic acids; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.97,Amino acids and derivatives,0.944,Carbamate esters,0.953,"Amino acids, peptides, and analogues",0.946,Organic acids and derivatives,0.983,,,,C24H34N6O3,454.269,Pyrroloindole alkaloids,0.006,Alkaloids,0.464,Small peptides,0.09,C24H35N6O3+,1040.09,4523
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Carboxylic acid esters; Sesquiterpenoids; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Prenol lipids,0.692,,,Sesquiterpenoids,0.587,Sesquiterpenoids,0.587,Lipids and lipid-like molecules,0.85,,,,C29H42O9,534.2822,Cadinane sesquiterpenoids,0.229,Terpenoids,0.882,Sesquiterpenoids,0.934,C29H43O9+,1042.78,4526
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.704,Alpha amino acids and derivatives,0.612,"Amino acids, peptides, and analogues",0.718,Organic acids and derivatives,0.995,,,,C34H36N4O9,644.2509,Cyclic peptides,0.085,Amino acids and Peptides,0.574,Oligopeptides,0.287,C34H37N4O9+,1047.01,4546
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrroles; Lactams; Indoles and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acids; Tertiary carboxylic acid amides; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; 3-alkylindoles; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.736,Alpha amino acids and derivatives,0.703,"Amino acids, peptides, and analogues",0.734,Organic acids and derivatives,0.995,,,,C32H30N2O6,538.2096,"Indole diketopiperazine alkaloids (L-Trp, L-Pro)",0.418,Alkaloids,0.641,Peptide alkaloids,0.486,C32H31N2O6+,1048.21,4549
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,0.999,Glycosyl compounds,0.855,O-glycosyl compounds,0.863,Carbohydrates and carbohydrate conjugates,0.982,Organic oxygen compounds,1,,,,C24H42O16,586.2461,Secoiridoid monoterpenoids,0.342,Terpenoids,0.371,Saccharides,0.46,C24H43O16+,1051.68,4560
[M + H]+,Organic compounds; Organoheterocyclic compounds; Organosulfur compounds; Organonitrogen compounds; Organooxygen compounds; Azoles; Trialkylamines; Amines; Tertiary amines; Tertiary alkylarylamines; Dialkylarylamines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.83,Dialkylarylamines,0.543,Amines,0.909,Organic nitrogen compounds,1,,,,C21H42N6OS,426.3127,Cyclamides,0.095,Alkaloids,0.35,Oligopeptides,0.089,C21H43N6OS+,1053.54,4564
[M + H]+,Organic compounds; Organoheterocyclic compounds; Imidazoles; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carbonyl compounds; Benzenoids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.565,,,Indoles and derivatives,0.565,,,Organoheterocyclic compounds,1,,,,C28H26N8O3,522.2145,Imidazole alkaloids,0.102,Alkaloids,0.77,Peptide alkaloids,0.325,C28H27N8O3+,1054.57,4567
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Peptides,0.596,Peptides,0.596,"Amino acids, peptides, and analogues",0.946,Organic acids and derivatives,0.997,,,,C28H38N6O7,570.2798,Cyclic peptides,0.283,Amino acids and Peptides,0.985,Oligopeptides,0.808,C28H39N6O7+,1061.18,4592
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrroles; Indoles and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Indoles; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.817,,,Indoles,0.624,Indoles,0.624,Organoheterocyclic compounds,0.989,,,,C30H30N2O3,466.2254,Carbazole alkaloids,0.04,Alkaloids,0.652,Tryptophan alkaloids,0.501,C30H31N2O3+,1066.68,4604
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Cyclic depsipeptides; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.336,Cyclic depsipeptides,0.515,Cyclic depsipeptides,0.515,Depsipeptides,0.434,Organic acids and derivatives,1,,,,C49H62N10O10,950.4688,Cyclic peptides,0.611,Amino acids and Peptides,0.804,Oligopeptides,0.998,C49H63N10O10+,1065.43,4607
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organonitrogen compounds; Organooxygen compounds; Amines; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.94,,,Heteroaromatic compounds,0.94,,,Organoheterocyclic compounds,0.946,,,,C24H40N6O2,444.3211,Tricyclic guanidine alkaloids,0.229,Alkaloids,0.863,Guanidine alkaloids,0.543,C24H41N6O2+,1066.97,4609
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Phenols; Phenethylamines; Amphetamines and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.994,Peptides,0.863,Oligopeptides,0.673,"Amino acids, peptides, and analogues",0.992,Organic acids and derivatives,0.999,,,,C49H62N10O10,950.4685,Cyclic peptides,0.63,Amino acids and Peptides,0.997,Oligopeptides,0.999,C49H62N10NaO10+,1068.51,4612
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.634,Peptides,0.634,"Amino acids, peptides, and analogues",0.992,Organic acids and derivatives,1,,,,C42H64N10O14,932.4556,Cyclic peptides,0.656,Amino acids and Peptides,0.882,Oligopeptides,0.999,C42H65N10O14+,1069.24,4618
,,,,,,,,,,,,,,,,574.4049,,,,,,,,1070.57,4619
[M + H]+,Organic compounds; Organoheterocyclic compounds; Pyrimidines and pyrimidine derivatives; Alcohols and polyols; Ethers; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Aminopyrimidines and derivatives; Diazines; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organonitrogen compounds,1,Tertiary amines,0.802,Dialkylarylamines,0.752,Amines,0.954,Organic nitrogen compounds,1,,,,C24H36N6O4,472.2799,Purine alkaloids,0.053,Alkaloids,0.525,Pseudoalkaloids (transamidation),0.069,C24H37N6O4+,1072.31,4623
,,,,,,,,,,,,,,,,450.2978,,,,,,,,1072.71,4626
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.709,,,Prenol lipids,0.709,,,Lipids and lipid-like molecules,0.827,,,,C26H36O3,396.2661,Apocarotenoids (β-),0.1,Terpenoids,0.864,Diterpenoids,0.14,C26H37O3+,1073.18,4630
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Benzoic acids and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Benzoic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.965,Amino acids and derivatives,0.503,Amino acids and derivatives,0.503,"Amino acids, peptides, and analogues",0.503,Organic acids and derivatives,0.984,,,,C48H78N2O14,906.5444,Polyene macrolides,0.182,Amino acids and Peptides,0.281,Macrolides,0.81,C48H79N2O14+,1071.69,4634
,,,,,,,,,,,,,,,,950.4689,,,,,,,,1077.3,4643
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Piperazines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Benzene and substituted derivatives; Diazinanes; Benzenoids; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.951,Amino acids and derivatives,0.937,Carbamate esters,0.919,"Amino acids, peptides, and analogues",0.937,Organic acids and derivatives,0.978,,,,C24H30N6O3,450.2378,Pyrroloindole alkaloids,0.02,Alkaloids,0.379,Small peptides,0.056,C24H31N6O3+,1075.73,4654
,,,,,,,,,,,,,,,,438.2739,,,,,,,,1079.35,4658
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alkyl aryl ethers; Anisoles; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carbonyl compounds; Benzene and substituted derivatives; Phenol ethers; Benzenoids; Organic oxides; Methoxybenzenes; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Phenoxy compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.698,Amino acids and derivatives,0.698,"Amino acids, peptides, and analogues",0.698,Organic acids and derivatives,0.974,,,,C32H30N2O5,522.2147,Isoquinoline alkaloids,0.039,Alkaloids,0.619,Tyrosine alkaloids,0.157,C32H30N2NaO5+,1080.92,4659
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alkyl aryl ethers; Lactams; Indoles and derivatives; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Indoles and derivatives,0.629,,,Indoles and derivatives,0.629,,,Organoheterocyclic compounds,0.996,,,,C32H30N2O5,522.2151,Acridone alkaloids,0.379,Alkaloids,0.617,Peptide alkaloids,0.588,C32H31N2O5+,1081.04,4661
,,,,,,,,,,,,,,,,750.5089,,,,,,,,1080.32,4662
,,,,,,,,,,,,,,,,706.4827,,,,,,,,1082.83,4663
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Macrolides and analogues; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Carboxylic acid derivatives; Carboxylic acid esters; Sesquiterpenoids; Secondary alcohols; Carbonyl compounds; Oxanes; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Prenol lipids,0.671,,,Sesquiterpenoids,0.611,Sesquiterpenoids,0.611,Lipids and lipid-like molecules,0.823,,,,C29H42O9,534.2824,Trichothecane sesquiterpenoids,0.51,Terpenoids,0.808,Sesquiterpenoids,0.954,C29H43O9+,1082.44,4664
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Amino acids and derivatives,0.82,Alpha amino acids and derivatives,0.677,"Amino acids, peptides, and analogues",0.839,Organic acids and derivatives,0.997,,,,C53H70N4O11,938.5034,Depsipeptides,0.584,Polyketides,0.876,Oligopeptides,0.886,C53H71N4O11+,1086.56,4667
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.834,Oligopeptides,0.602,"Amino acids, peptides, and analogues",0.995,Organic acids and derivatives,1,,,,C46H64N12O11,960.4857,Cyclic peptides,0.867,Amino acids and Peptides,0.982,Oligopeptides,0.999,C46H65N12O11+,1087.07,4668
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Halobenzenes; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Phenols; Lactams; Indoles and derivatives; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organohalogen compounds; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Aryl chlorides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Organochlorides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Indoles; Aryl halides; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.751,Peptides,0.751,"Amino acids, peptides, and analogues",0.993,Organic acids and derivatives,0.999,,,,C50H65ClN8O10,972.451,Cyclic peptides,0.524,Amino acids and Peptides,0.89,Oligopeptides,1,C50H66ClN8O10+,1089.65,4679
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.622,Peptides,0.622,"Amino acids, peptides, and analogues",0.99,Organic acids and derivatives,0.999,,,,C49H62N10O10,950.469,Cyclic peptides,0.564,Amino acids and Peptides,0.938,Oligopeptides,0.999,C49H63N10O10+,1089.01,4681
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carbamate esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.914,Carbamate esters,0.587,"Amino acids, peptides, and analogues",0.917,Organic acids and derivatives,0.998,,,,C23H38N2O6,438.2741,Open-chain polyketides,0.198,Amino acids and Peptides,0.709,Linear polyketides,0.209,C23H39N2O6+,1089.16,4683
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Oxosteroids; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.951,,,Triterpenoids,0.814,Triterpenoids,0.814,Lipids and lipid-like molecules,0.993,,,,C26H40O4,416.2924,Abeolupane triterpenoids,0.498,Terpenoids,0.999,Triterpenoids,0.992,C26H40NaO4+,1090.89,4684
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Triterpenoids; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.789,,,Triterpenoids,0.514,Triterpenoids,0.514,Lipids and lipid-like molecules,0.918,,,,C26H40O4,416.2923,Oleanane triterpenoids,0.069,Terpenoids,0.987,Triterpenoids,0.826,C26H40NaO4+,1095.7,4690
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Oxosteroids; Carboxylic acids; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.958,,,Triterpenoids,0.851,Triterpenoids,0.851,Lipids and lipid-like molecules,0.993,,,,C26H40O4,416.2921,Abeolupane triterpenoids,0.496,Terpenoids,1,Triterpenoids,0.994,C26H40NaO4+,1095.09,4692
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Cyclic alcohols and derivatives; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Organooxygen compounds,1,Glycosyl compounds,0.862,O-glycosyl compounds,0.843,Carbohydrates and carbohydrate conjugates,0.938,Organic oxygen compounds,1,,,,C45H72O22,964.4484,Secoiridoid monoterpenoids,0.207,Terpenoids,0.911,Steroids,0.233,C45H73O22+,1094.23,4694
,,,,,,,,,,,,,,,,840.4986,,,,,,,,1098.86,4700
,,,,,,,,,,,,,,,,418.3079,,,,,,,,1102.88,4710
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.855,Oligopeptides,0.607,"Amino acids, peptides, and analogues",0.992,Organic acids and derivatives,0.999,,,,C54H60N8O7,932.4584,Cyclic peptides,0.784,Amino acids and Peptides,0.965,Oligopeptides,0.993,C54H60N8NaO7+,1101.69,4718
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Steroid lactones; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Disaccharides; Acetals; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.878,,,Steroidal glycosides,0.822,Steroidal glycosides,0.822,Lipids and lipid-like molecules,0.926,,,,C52H72O15,936.4895,Cardenolides,0.456,Terpenoids,0.504,Steroids,0.862,C52H72NaO15+,1104.86,4720
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Hydroxy acids and derivatives; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Monosaccharides; Acetals; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,0.999,Glycosyl compounds,0.743,O-glycosyl compounds,0.732,Carbohydrates and carbohydrate conjugates,0.93,Organic oxygen compounds,1,,,,C45H76O20,936.4896,Polyene macrolides,0.806,Polyketides,0.856,Macrolides,0.715,C45H77O20+,1104.87,4721
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.536,,,Prenol lipids,0.536,,,Lipids and lipid-like molecules,0.94,,,,C26H38O4,414.2764,Spirostane steroids,0.052,Terpenoids,0.908,Steroids,0.301,C26H38NaO4+,1104.79,4722
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Oxosteroids; Carboxylic acids; Cyclic alcohols and derivatives; Triterpenoids; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Prenol lipids,0.935,,,Triterpenoids,0.804,Triterpenoids,0.804,Lipids and lipid-like molecules,0.984,,,,C26H40O4,416.2922,Abeolupane triterpenoids,0.347,Terpenoids,0.998,Triterpenoids,0.988,C26H40NaO4+,1109.14,4728
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.62,,,Steroids and steroid derivatives,0.62,,,Lipids and lipid-like molecules,0.91,,,,C26H38O4,414.2765,Ergostane steroids,0.075,Terpenoids,0.942,Triterpenoids,0.349,C26H39O4+,1110.53,4730
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organooxygen compounds; Cyclic alcohols and derivatives; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.529,,,Steroids and steroid derivatives,0.529,,,Lipids and lipid-like molecules,0.944,,,,C26H42O3,402.3131,Ergostane steroids,0.06,Terpenoids,0.878,Steroids,0.38,C26H41O2+,1113.92,4734
[M - H4O2 + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; 3-hydroxysteroids; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.985,3-hydroxysteroids,0.871,3-hydroxysteroids,0.871,Hydroxysteroids,0.913,Lipids and lipid-like molecules,0.996,,,,C26H42O3,402.3131,Ergostane steroids,0.47,Terpenoids,0.999,Steroids,0.985,C26H39O+,1114.04,4735
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Carboxylic acid esters; Acetals; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.513,,,Steroids and steroid derivatives,0.513,,,Lipids and lipid-like molecules,0.589,,,,C54H66O17,986.4303,Spirotetronate macrolides,0.189,Terpenoids,0.552,Steroids,0.21,C54H67O17+,1112.11,4738
,,,,,,,,,,,,,,,,438.2741,,,,,,,,1112.96,4740
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Organic phosphoric acids and derivatives; Phosphate esters; Monocarboxylic acids and derivatives; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; Alkyl phosphates; Monoalkyl phosphates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.638,,,Hydroxysteroids,0.678,Hydroxysteroids,0.678,Lipids and lipid-like molecules,0.983,,,,C21H45O7P,440.2894,Glycerophosphates,0.284,Fatty acids,0.932,Glycerophospholipids,0.791,C21H46O7P+,1113.08,4742
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Hydroxamic acids; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.57,Peptides,0.57,"Amino acids, peptides, and analogues",0.971,Organic acids and derivatives,1,,,,C42H68N10O14,936.4897,Cyclic peptides,0.807,Amino acids and Peptides,0.979,Oligopeptides,0.999,C42H69N10O14+,1112.79,4743
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Steroid lactones; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Disaccharides; Cardenolides and derivatives; Cardenolide glycosides and derivatives; Acetals; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Furanones; Dihydrofurans; Oxanes; Glycosyl compounds; O-glycosyl compounds; Butenolides; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; 14-hydroxysteroids; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.791,Cardenolides and derivatives,0.595,Cardenolide glycosides and derivatives,0.68,Steroid lactones,0.666,Lipids and lipid-like molecules,0.901,,,,C45H74O20,934.4743,Cardenolides,0.762,Terpenoids,0.639,Steroids,0.709,C45H75O20+,1122.92,4752
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Tertiary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Amino acids; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,1,Peptides,0.561,Peptides,0.561,"Amino acids, peptides, and analogues",0.982,Organic acids and derivatives,1,,,,C23H34N2O6,434.2432,Dipeptides,0.664,Amino acids and Peptides,0.97,Small peptides,0.949,C23H35N2O6+,1123.41,4753
[M + H]+,Organic compounds; Organoheterocyclic compounds; Quinolones and derivatives; Pyridines and derivatives; Alkyl aryl ethers; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Quinolines and derivatives; Hydroquinolines; Hydroquinolones; Benzenoids; 1-benzopyrans; Vinylogous amides; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Quinolines and derivatives,0.669,Hydroquinolones,0.727,Hydroquinolones,0.727,Quinolones and derivatives,0.794,Organoheterocyclic compounds,0.994,Cochliodinol,,,C32H30N2O4,506.22,Acridone alkaloids,0.506,Alkaloids,0.932,Anthranilic acid alkaloids,0.867,C32H31N2O4+,1123.16,4756
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Steroid lactones; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Cardenolides and derivatives; Cardenolide glycosides and derivatives; Acetals; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Furanones; Dihydrofurans; Oxanes; Glycosyl compounds; O-glycosyl compounds; Butenolides; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; 14-hydroxysteroids; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.832,Cardenolides and derivatives,0.518,Cardenolide glycosides and derivatives,0.561,Steroid lactones,0.803,Lipids and lipid-like molecules,0.84,,,,C54H68O15,956.4553,Cardenolides,0.706,Terpenoids,0.712,Steroids,0.789,C54H69O15+,1125.11,4759
,,,,,,,,,,,,,,,,1072.6481,,,,,,,,1125.54,4763
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; 14-hydroxysteroids; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.872,,,Steroidal glycosides,0.79,Steroidal glycosides,0.79,Lipids and lipid-like molecules,0.948,,,,C45H72O19,916.4637,Cardenolides,0.315,Terpenoids,0.872,Steroids,0.777,C45H73O19+,1125.9,4769
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.814,,,Steroidal glycosides,0.762,Steroidal glycosides,0.762,Lipids and lipid-like molecules,0.956,,,,C45H72O19,916.4641,Cardenolides,0.168,Terpenoids,0.765,Steroids,0.657,C45H73O19+,1125.43,4770
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Tertiary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; 14-hydroxysteroids; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.891,,,Steroidal glycosides,0.866,Steroidal glycosides,0.866,Lipids and lipid-like molecules,0.938,,,,C45H74O20,934.4741,Cardenolides,0.514,Terpenoids,0.868,Steroids,0.946,C45H74NaO20+,1131.8,4776
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.831,,,Steroidal glycosides,0.743,Steroidal glycosides,0.743,Lipids and lipid-like molecules,0.924,,,,C45H74O20,934.4739,Cardenolides,0.305,Terpenoids,0.751,Steroids,0.605,C45H75O20+,1131.92,4777
,,,,,,,,,,,,,,,,936.4877,,,,,,,,1134.79,4788
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.792,,,Steroidal glycosides,0.687,Steroidal glycosides,0.687,Lipids and lipid-like molecules,0.885,,,,C52H72O15,936.4892,Polyene macrolides,0.316,Polyketides,0.569,Macrolides,0.514,C52H73O15+,1135.02,4789
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.864,,,Steroidal glycosides,0.66,Steroidal glycosides,0.66,Lipids and lipid-like molecules,0.925,,,,C45H76O20,936.4914,Cardenolides,0.253,Terpenoids,0.538,Steroids,0.437,C45H77O20+,1134.91,4790
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.775,,,Steroids and steroid derivatives,0.775,,,Lipids and lipid-like molecules,0.98,Tortoisellide A,,,C26H40O3,400.2973,Cholane steroids,0.28,Terpenoids,0.842,Steroids,0.773,C26H39O2+,1135.47,4791
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Steroids and steroid derivatives; Organooxygen compounds; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.806,,,Steroids and steroid derivatives,0.806,,,Lipids and lipid-like molecules,0.98,,,,C25H38O,354.2919,Cholestane steroids,0.261,Terpenoids,0.966,Steroids,0.858,C25H39O+,1135.63,4793
,,,,,,,,,,,,,,,,438.2742,,,,,,,,1134.37,4794
,,,,,,,,,,,,,,,,480.2848,,,,,,,,1138.02,4801
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.723,,,Steroidal glycosides,0.651,Steroidal glycosides,0.651,Lipids and lipid-like molecules,0.897,,,,C45H72O22,964.4507,Furostane steroids,0.167,Terpenoids,0.667,Steroids,0.515,C45H73O22+,1141.13,4812
,,,,,,,,,,,,,,,,956.456,,,,,,,,1141.87,4819
,,,,,,,,,,,,,,,,934.4743,,,,,,,,1144.4,4823
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.767,,,Steroidal glycosides,0.758,Steroidal glycosides,0.758,Lipids and lipid-like molecules,0.91,,,,C45H74O20,934.474,Cardenolides,0.418,Terpenoids,0.433,Steroids,0.566,C45H75O20+,1144.41,4824
[M + H]+,Organic compounds; Organoheterocyclic compounds; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Heteroaromatic compounds,0.603,,,Heteroaromatic compounds,0.603,,,Organoheterocyclic compounds,0.974,,,,C53H66N4O11,934.474,Polyene macrolides,0.327,Polyketides,0.799,Macrolides,0.766,C53H67N4O11+,1144.41,4825
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carboxylic acids; Hydroxysteroids; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.941,,,Hydroxysteroids,0.624,Hydroxysteroids,0.624,Lipids and lipid-like molecules,0.995,,,,C36H64O4,560.4799,Cholane steroids,0.335,Terpenoids,0.939,Steroids,0.837,C36H65O4+,1144.16,4827
,,,,,,,,,,,,,,,,626.4248,,,,,,,,1144.41,4832
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alkyl aryl ethers; Alcohols and polyols; Anisoles; Ethers; Prenol lipids; Primary alcohols; Organooxygen compounds; Monosaccharides; Acetals; Secondary alcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Phenol ethers; Benzenoids; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Glycosyl compounds,0.806,O-glycosyl compounds,0.851,Carbohydrates and carbohydrate conjugates,0.984,Organic oxygen compounds,1,,,,C19H38O15,506.22,Menthane monoterpenoids,0.136,Shikimates and Phenylpropanoids,0.431,Monoterpenoids,0.719,C19H39O15+,1144.66,4834
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.798,Alpha amino acids and derivatives,0.747,"Amino acids, peptides, and analogues",0.8,Organic acids and derivatives,0.998,,,,C26H42N2O12,574.2745,Open-chain polyketides,0.392,Amino acids and Peptides,0.449,Macrolides,0.407,C26H43N2O12+,1143.79,4835
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Pyrrolidines; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.631,Peptides,0.631,"Amino acids, peptides, and analogues",0.975,Organic acids and derivatives,0.998,,,,C55H64N8O8,964.4831,Cyclic peptides,0.253,Amino acids and Peptides,0.722,Oligopeptides,0.93,C55H64N8NaO8+,1145.51,4838
,,,,,,,,,,,,,,,,918.5461,,,,,,,,1146.52,4841
,,,,,,,,,,,,,,,,936.5536,,,,,,,,1145.04,4846
,,,,,,,,,,,,,,,,440.2898,,,,,,,,1147.64,4847
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Hydroxamic acids; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Primary amines; Acetohydroxamic acids; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.997,Peptides,0.586,Peptides,0.586,"Amino acids, peptides, and analogues",0.94,Organic acids and derivatives,1,,,,C39H64N12O16,956.4559,Cyclic peptides,0.946,Amino acids and Peptides,0.978,Oligopeptides,0.999,C39H65N12O16+,1149.12,4850
,,,,,,,,,,,,,,,,654.4307,,,,,,,,1147.03,4857
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.632,Peptides,0.632,"Amino acids, peptides, and analogues",0.98,Organic acids and derivatives,0.999,,,,C48H71N7O9,889.5319,Lipopeptides,0.385,Amino acids and Peptides,0.964,Oligopeptides,0.996,C48H72N7O9+,1151.06,4866
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerophospholipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Organic phosphoric acids and derivatives; Phosphate esters; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Glycerophosphates; Alkyl phosphates; Monoalkyl phosphates; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Glycerophospholipids,0.9,,,Glycerophosphates,0.693,Glycerophosphates,0.693,Lipids and lipid-like molecules,0.921,,,,C21H39O7P,434.2428,Glycerophosphates,0.908,Fatty acids,0.976,Glycerophospholipids,0.999,C21H40O7P+,1150.13,4869
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Carboxylic acids and derivatives,0.976,,,Dicarboxylic acids and derivatives,0.506,Dicarboxylic acids and derivatives,0.506,Organic acids and derivatives,0.987,,,,C26H40O5,432.2879,Scalarane sesterterpenoids,0.146,Terpenoids,0.81,Sesterterpenoids,0.317,C26H39O4+,1153.23,4875
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Ketones; Alcohols and polyols; Steroids and steroid derivatives; Organooxygen compounds; Oxosteroids; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; Carbonyl compounds; 3-hydroxysteroids; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.907,3-hydroxysteroids,0.626,3-hydroxysteroids,0.626,Hydroxysteroids,0.743,Lipids and lipid-like molecules,0.983,,,,C26H40O3,400.2974,Ergostane steroids,0.181,Terpenoids,0.98,Steroids,0.813,C26H39O2+,1154.08,4878
[M + Na]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Steroid esters; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.828,,,Steroid esters,0.581,Steroid esters,0.581,Lipids and lipid-like molecules,0.979,,,,C26H40O3,400.2976,Cholestane steroids,0.153,Terpenoids,0.957,Steroids,0.839,C26H40NaO3+,1154.93,4880
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organooxygen compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.81,,,Steroids and steroid derivatives,0.81,,,Lipids and lipid-like molecules,0.976,,,,C25H38O,354.2917,Ergostane steroids,0.111,Terpenoids,0.966,Steroids,0.838,C25H39O+,1154.44,4882
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Monocarboxylic acids and derivatives; Carbonyl compounds; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.662,,,Steroids and steroid derivatives,0.662,,,Lipids and lipid-like molecules,0.949,,,,C26H38O3,398.2818,Ophiobolane sesterterpenoids,0.281,Terpenoids,0.868,Steroids,0.386,C26H39O3+,1158.36,4890
,,,,,,,,,,,,,,,,398.2817,,,,,,,,1158.11,4893
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.857,Peptides,0.857,"Amino acids, peptides, and analogues",0.991,Organic acids and derivatives,1,,,,C38H62N16O12,934.4736,Cyclic peptides,0.773,Amino acids and Peptides,0.985,Oligopeptides,0.999,C38H63N16O12+,1156.77,4896
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Nitrobenzenes; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Organic nitro compounds; N-acyl-alpha amino acids and derivatives; Organic oxoazanium compounds; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Organic zwitterions; Organic 1,3-dipolar compounds; Allyl-type 1,3-dipolar organic compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; C-nitro compounds; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Nitroaromatic compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.98,Amino acids and derivatives,0.94,N-acyl-alpha amino acids and derivatives,0.644,"Amino acids, peptides, and analogues",0.952,Organic acids and derivatives,0.989,,,,C54H62N8O7,934.4736,Cyclic peptides,0.195,Amino acids and Peptides,0.987,Oligopeptides,0.984,C54H63N8O7+,1157.5,4897
[M + Na]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Tetrahydrofurans; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.618,,,Steroidal glycosides,0.6,Steroidal glycosides,0.6,Lipids and lipid-like molecules,0.776,,,,C45H74O20,934.4734,Furostane steroids,0.113,Polyketides,0.513,Steroids,0.347,C45H74NaO20+,1156.64,4898
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.984,Amino acids and derivatives,0.887,Alpha amino acids and derivatives,0.78,"Amino acids, peptides, and analogues",0.901,Organic acids and derivatives,0.994,,,,C53H66N4O11,934.4735,Depsipeptides,0.23,Amino acids and Peptides,0.775,Oligopeptides,0.965,C53H67N4O11+,1157.01,4899
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Pyrimidines and pyrimidine derivatives; Piperidines; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Carbamic acids and derivatives; Organooxygen compounds; Amino acids and derivatives; Carbamate esters; Aminopyrimidines and derivatives; Diazines; Carbonyl compounds; Amines; Tertiary amines; Tertiary alkylarylamines; Imidolactams; Dialkylarylamines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.943,Amino acids and derivatives,0.924,Carbamate esters,0.754,"Amino acids, peptides, and analogues",0.924,Organic acids and derivatives,0.954,,,,C24H34N6O2,438.2741,Pyrroloindole alkaloids,0.153,Alkaloids,0.737,Tryptophan alkaloids,0.084,C24H35N6O2+,1157.83,4900
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Disaccharides; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.834,,,Steroidal glycosides,0.765,Steroidal glycosides,0.765,Lipids and lipid-like molecules,0.895,,,,C45H74O20,934.4734,Cardenolides,0.424,Terpenoids,0.818,Steroids,0.746,C45H74NaO20+,1168.11,4917
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Enoate esters; Alpha,beta-unsaturated carboxylic esters; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities",Steroids and steroid derivatives,0.55,,,Steroidal glycosides,0.623,Steroidal glycosides,0.623,Lipids and lipid-like molecules,0.888,,,,C45H74O20,934.4731,Open-chain polyketides,0.187,Terpenoids,0.53,Steroids,0.337,C45H75O20+,1168.07,4918
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Steroids and steroid derivatives; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Primary alcohols; Organooxygen compounds; Steroidal glycosides; Carboxylic acid derivatives; Carboxylic acid esters; Cyclic alcohols and derivatives; Hydroxysteroids; Triterpenoids; Triterpene glycosides; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Terpene glycosides; Glycosyl compounds; O-glycosyl compounds; Polyols; Triterpene saponins; Steroidal saponins; Tetrahydrofurans; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.908,Steroidal saponins,0.555,Steroidal saponins,0.555,Steroidal glycosides,0.692,Lipids and lipid-like molecules,0.981,,,,C45H74O20,934.4738,Ursane and Taraxastane triterpenoids,0.093,Terpenoids,0.89,Triterpenoids,0.785,C45H75O20+,1168.11,4919
,,,,,,,,,,,,,,,,960.6581,,,,,,,,1178.98,4941
,,,,,,,,,,,,,,,,918.5441,,,,,,,,1179.2,4942
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Lactams; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Dicarboxylic acids and derivatives; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acids; Secondary alcohols; Tertiary carboxylic acid amides; Isoindoles and derivatives; Isoindolones; Carbonyl compounds; Benzenoids; Isoindolines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Glutamic acid and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.916,Glutamic acid and derivatives,0.534,"Amino acids, peptides, and analogues",0.916,Organic acids and derivatives,0.997,,,,C26H40N2O9,524.2727,Isoindole alkaloids,0.407,Alkaloids,0.837,Pseudoalkaloids (transamidation),0.753,C26H41N2O9+,1178.39,4947
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Amines; Primary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.68,Peptides,0.68,"Amino acids, peptides, and analogues",0.984,Organic acids and derivatives,1,,,,C37H64N12O15,916.4622,Cyclic peptides,0.815,Amino acids and Peptides,0.983,Oligopeptides,1,C37H65N12O15+,1186.22,4963
,,,,,,,,,,,,,,,,845.6058,,,,,,,,1186.69,4966
,,,,,,,,,,,,,,,,918.5444,,,,,,,,1190.54,4972
,,,,,,,,,,,,,,,,801.5799,,,,,,,,1188.78,4973
,,,,,,,,,,,,,,,,824.4847,,,,,,,,1192.75,4992
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Beta hydroxy acids and derivatives; Carbonyl compounds; 1,2-aminoalcohols; Polyols; Amines; Primary amines; Alkanolamines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.87,Amino acids and derivatives,0.708,Amino acids and derivatives,0.708,"Amino acids, peptides, and analogues",0.715,Organic acids and derivatives,0.881,,,,C36H75NO12,713.5268,Sphingoid bases,0.934,Fatty acids,0.929,Spingolipids,0.86,C36H76NO12+,1193.68,5003
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Acetals; Secondary alcohols; Carbonyl compounds; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Glycosyl compounds,0.716,O-glycosyl compounds,0.706,Carbohydrates and carbohydrate conjugates,0.891,Organic oxygen compounds,1,,,,C48H94O17,942.6487,Polyene macrolides,0.303,Polyketides,0.786,Macrolides,0.759,C48H95O17+,1195.58,5009
,,,,,,,,,,,,,,,,942.6478,,,,,,,,1196.83,5010
[M - H4O2 + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Secondary alcohols; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Benzene and substituted derivatives,0.537,,,Benzene and substituted derivatives,0.537,,,Benzenoids,0.736,,,,C39H64N4O3,636.499,Open-chain polyketides,0.094,Alkaloids,0.567,Linear polyketides,0.149,C39H61N4O+,1195.79,5014
,,,,,,,,,,,,,,,,640.4701,,,,,,,,1195.38,5021
,,,,,,,,,,,,,,,,626.3989,,,,,,,,1197.39,5022
,,,,,,,,,,,,,,,,916.53,,,,,,,,1195.33,5024
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; N-acyl-alpha amino acids; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.6,Peptides,0.6,"Amino acids, peptides, and analogues",0.899,Organic acids and derivatives,0.998,,,,C27H38N6O8,574.2746,Cyclic peptides,0.255,Amino acids and Peptides,0.977,Oligopeptides,0.918,C27H39N6O8+,1195.56,5029
,,,,,,,,,,,,,,,,916.5299,,,,,,,,1195.32,5030
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alcohols and polyols; Macrolides and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Aminoglycosides; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Monosaccharides; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; 1,2-aminoalcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Amines; Primary amines; Alkanolamines; Aminosaccharides; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Organooxygen compounds,0.998,Aminosaccharides,0.796,Aminoglycosides,0.627,Carbohydrates and carbohydrate conjugates,0.883,Organic oxygen compounds,0.999,,,,C46H93NO16,915.648,Polyene macrolides,0.672,Polyketides,0.82,Macrolides,0.792,C46H94NO16+,1198.53,5042
,,,,,,,,,,,,,,,,871.6219,,,,,,,,1201.27,5051
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acid esters; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.994,Amino acids and derivatives,0.947,N-acyl-alpha amino acids and derivatives,0.512,"Amino acids, peptides, and analogues",0.96,Organic acids and derivatives,0.999,,,,C43H81N5O10,827.5959,Lipopeptides,0.803,Amino acids and Peptides,0.867,Oligopeptides,0.996,C43H82N5O10+,1203.91,5057
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Fatty acids and conjugates; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.938,N-acyl-alpha amino acids and derivatives,0.635,"Amino acids, peptides, and analogues",0.952,Organic acids and derivatives,0.998,,,,C36H74N6O11,766.5435,Lipopeptides,0.834,Amino acids and Peptides,0.909,Oligopeptides,0.984,C36H75N6O11+,1207.1,5065
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alcohols and polyols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Monoalkylamines; Carboxylic acid derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Carbonyl compounds; 1,2-aminoalcohols; Amines; Primary amines; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.948,Amino acids and derivatives,0.727,Amino acids and derivatives,0.727,"Amino acids, peptides, and analogues",0.732,Organic acids and derivatives,0.964,,,,C40H81NO13,783.5696,Open-chain polyketides,0.486,Polyketides,0.546,Macrolides,0.734,C40H82NO13+,1206.1,5066
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.859,Cyclic depsipeptides,0.809,Cyclic depsipeptides,0.809,Depsipeptides,0.836,Organic acids and derivatives,0.999,,,,C39H70N4O8,722.5174,Lipopeptides,0.885,Amino acids and Peptides,0.804,Oligopeptides,0.997,C39H71N4O8+,1207.1,5074
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Primary amines; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Amino acids and derivatives,0.975,N-acyl-alpha amino acids and derivatives,0.682,"Amino acids, peptides, and analogues",0.978,Organic acids and derivatives,0.994,,,,C40H69N9O4,739.5434,Linear peptides,0.251,Amino acids and Peptides,0.852,Oligopeptides,0.569,C40H70N9O4+,1208.56,5076
,,,,,,,,,,,,,,,,600.4783,,,,,,,,1207.98,5079
,,,,,,,,,,,,,,,,918.5447,,,,,,,,1208.44,5081
,,,,,,,,,,,,,,,,640.4726,,,,,,,,1208.92,5087
,,,,,,,,,,,,,,,,678.4907,,,,,,,,1210.57,5089
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Primary alcohols; Organooxygen compounds; Dialkyl ethers; Monosaccharides; Acetals; Secondary alcohols; Oxanes; Glycosyl compounds; O-glycosyl compounds; Polyols; Fatty Acyls; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,1,Glycosyl compounds,0.709,O-glycosyl compounds,0.677,Carbohydrates and carbohydrate conjugates,0.807,Organic oxygen compounds,1,,,,C36H70O11,678.4914,Open-chain polyketides,0.349,Fatty acids,0.8,Fatty acyl glycosides,0.447,C36H71O11+,1211.4,5091
,,,,,,,,,,,,,,,,768.6646,,,,,,,,1210.1,5092
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Amino acids and derivatives,0.8,Alpha amino acids and derivatives,0.71,"Amino acids, peptides, and analogues",0.822,Organic acids and derivatives,0.998,,,,C37H69N5O7,695.5174,Lipopeptides,0.261,Amino acids and Peptides,0.767,Oligopeptides,0.699,C37H70N5O7+,1210.8,5093
[M + H]+,Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Hydrocarbon derivatives; Chemical entities,,,,,Lipids and lipid-like molecules,0.545,,,Lipids and lipid-like molecules,0.545,,,,C40H80S2,624.5686,Monocyclic monoterpenoids,0.211,Terpenoids,0.926,Monoterpenoids,0.298,C40H81S2+,1210.22,5098
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Primary carboxylic acid amides; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Glutamine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Peptides,0.826,Peptides,0.826,"Amino acids, peptides, and analogues",0.964,Organic acids and derivatives,0.997,,,,C35H65N5O6,651.4914,Tripeptides,0.357,Amino acids and Peptides,0.859,Oligopeptides,0.549,C35H66N5O6+,1212.64,5105
,,,,,,,,,,,,,,,,788.525,,,,,,,,1217.76,5126
,,,,,,,,,,,,,,,,656.4464,,,,,,,,1219.29,5128
,,,,,,,,,,,,,,,,769.8417,,,,,,,,1226.97,5149
,,,,,,,,,,,,,,,,942.4757,,,,,,,,1228.49,5151
,,,,,,,,,,,,,,,,600.4777,,,,,,,,1234.12,5166
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Primary amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; 1-hydroxy-2-unsubstituted benzenoids; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.892,Oligopeptides,0.693,"Amino acids, peptides, and analogues",0.988,Organic acids and derivatives,0.999,,,,C39H66N12O15,942.476,Linear peptides,0.746,Amino acids and Peptides,0.984,Oligopeptides,0.998,C39H67N12O15+,1234.71,5167
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Benzene and substituted derivatives; Benzenoids; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.632,Cyclic depsipeptides,0.821,Cyclic depsipeptides,0.821,Depsipeptides,0.785,Organic acids and derivatives,0.999,,,,C48H68N6O12,920.4941,Depsipeptides,0.694,Polyketides,0.668,Oligopeptides,0.992,C48H69N6O12+,1236.17,5168
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenols; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.967,Amino acids and derivatives,0.826,Alpha amino acids and derivatives,0.553,"Amino acids, peptides, and analogues",0.835,Organic acids and derivatives,0.986,,,,C53H66N4O9,902.4844,Depsipeptides,0.335,Polyketides,0.76,Oligopeptides,0.849,C53H67N4O9+,1234.52,5170
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Trialkylamines; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.989,Amino acids and derivatives,0.921,Alpha amino acids and derivatives,0.607,"Amino acids, peptides, and analogues",0.929,Organic acids and derivatives,0.996,,,,C53H66N4O9,902.484,Microcolins and mirabimids,0.159,Amino acids and Peptides,0.393,Oligopeptides,0.895,C53H67N4O9+,1234.53,5171
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.957,N-acyl amines,0.595,N-acyl amines,0.595,Fatty amides,0.564,Lipids and lipid-like molecules,0.963,,,,C46H77NO8,771.5627,Neutral glycosphingolipids,0.215,Fatty acids,0.998,Spingolipids,0.504,C46H78NO8+,1236.54,5175
,,,,,,,,,,,,,,,,726.5478,,,,,,,,1250.76,5205
,,,,,,,,,,,,,,,,596.3883,,,,,,,,1250.1,5208
,,,,,,,,,,,,,,,,942.477,,,,,,,,1253.38,5213
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Carboximidamides; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.992,Peptides,0.627,Peptides,0.627,"Amino acids, peptides, and analogues",0.981,Organic acids and derivatives,0.996,,,,C42H73N7O6,771.5631,Linear peptides,0.633,Amino acids and Peptides,0.997,Oligopeptides,0.991,C42H74N7O6+,1260.99,5240
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Imidazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Azoles; Carboxylic acid amides; Carboxylic acid derivatives; Carbonyl compounds; Benzenoids; Amines; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.943,Amino acids and derivatives,0.782,Alpha amino acids and derivatives,0.56,"Amino acids, peptides, and analogues",0.795,Organic acids and derivatives,0.981,,,,C42H62N6O6,746.4701,Other indole diketopiperazine alkaloids,0.104,Amino acids and Peptides,0.639,Oligopeptides,0.495,C42H63N6O6+,1265.18,5245
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.547,Cyclic depsipeptides,0.663,Cyclic depsipeptides,0.663,Depsipeptides,0.565,Organic acids and derivatives,0.997,,,,C55H81N5O9,955.5992,Lipopeptides,0.7,Amino acids and Peptides,0.833,Oligopeptides,0.996,C55H80N5O8+,1276.31,5278
,,,,,,,,,,,,,,,,614.4505,,,,,,,,1278.01,5280
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Carbonyl compounds; Polyols; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.505,,,Fatty Acyls,0.505,,,Lipids and lipid-like molecules,0.743,,,,C38H63NO8,661.4537,Open-chain polyketides,0.486,Amino acids and Peptides,0.489,Macrolides,0.841,C38H64NO8+,1281.24,5289
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Diazinanes; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.975,Amino acids and derivatives,0.921,Alpha amino acids and derivatives,0.835,"Amino acids, peptides, and analogues",0.929,Organic acids and derivatives,0.992,,,,C42H64N6O5,732.4919,Cyclic peptides,0.168,Amino acids and Peptides,0.866,Oligopeptides,0.776,C42H65N6O5+,1286.55,5309
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Diazinanes; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.969,Amino acids and derivatives,0.903,Alpha amino acids and derivatives,0.808,"Amino acids, peptides, and analogues",0.913,Organic acids and derivatives,0.989,,,,C42H64N6O5,732.4924,Cyclic peptides,0.146,Amino acids and Peptides,0.825,Oligopeptides,0.755,C42H65N6O5+,1287.12,5310
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.794,Cyclic depsipeptides,0.642,Cyclic depsipeptides,0.642,Depsipeptides,0.595,Organic acids and derivatives,0.999,,,,C47H83N6O14,955.5998,Lipopeptides,0.969,Amino acids and Peptides,0.972,Oligopeptides,0.999,C47H82N6O13+,1294.28,5331
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.993,Peptides,0.669,Peptides,0.669,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.996,,,,C51H77N11O7,955.5996,Linear peptides,0.49,Amino acids and Peptides,0.996,Oligopeptides,0.996,C51H78N11O7+,1294.28,5332
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Fatty Acyls; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.928,Cyclic depsipeptides,0.926,Cyclic depsipeptides,0.926,Depsipeptides,0.924,Organic acids and derivatives,1,,,,C47H83N6O14,955.5997,Lipopeptides,0.916,Amino acids and Peptides,0.916,Oligopeptides,0.999,C47H82N6O13+,1294.4,5333
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Lactones; Alcohols and polyols; Macrolides and analogues; Ethers; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Carboxylic acid amides; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Tertiary carboxylic acid amides; Carbonyl compounds; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Macrolides and analogues,0.585,,,Macrolides and analogues,0.585,,,Phenylpropanoids and polyketides,0.351,,,,C38H63NO8,661.4539,Open-chain polyketides,0.34,Polyketides,0.387,Macrolides,0.664,C38H64NO8+,1299.3,5342
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Glycerolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Carboxylic acid esters; Fatty alcohols; Secondary alcohols; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.953,,,Fatty alcohols,0.531,Fatty alcohols,0.531,Lipids and lipid-like molecules,0.986,,,,C38H62O6,614.4507,Diacylglycerols,0.31,Fatty acids,0.99,Glycerolipids,0.902,C38H63O6+,1302.83,5352
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Carboximidamides; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.988,Peptides,0.819,Oligopeptides,0.519,"Amino acids, peptides, and analogues",0.982,Organic acids and derivatives,0.998,,,,C37H62N8O7,730.4765,Linear peptides,0.608,Amino acids and Peptides,0.996,Oligopeptides,0.99,C37H63N8O7+,1304.31,5360
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty acid esters; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.982,Amino acids and derivatives,0.855,Alpha amino acids and derivatives,0.803,"Amino acids, peptides, and analogues",0.858,Organic acids and derivatives,0.994,,,,C41H66N2O9,730.4764,Open-chain polyketides,0.18,Amino acids and Peptides,0.598,Linear polyketides,0.46,C41H67N2O9+,1311.24,5372
,,,,,,,,,,,,,,,,656.425,,,,,,,,1316.58,5380
,,,,,,,,,,,,,,,,733.5082,,,,,,,,1318.13,5388
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; Carboxylic acids; Carboxylic acid esters; Secondary alcohols; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Macrolide lactams; Depsipeptides; Cyclic depsipeptides; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Peptidomimetics,0.923,Cyclic depsipeptides,0.795,Cyclic depsipeptides,0.795,Depsipeptides,0.798,Organic acids and derivatives,1,,,,C50H81N7O11,955.6,Lipopeptides,0.75,Amino acids and Peptides,0.947,Oligopeptides,0.999,C50H82N7O11+,1322.1,5394
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; Secondary alcohols; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Cyclic peptides; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.996,Peptides,0.908,Oligopeptides,0.881,"Amino acids, peptides, and analogues",0.989,Organic acids and derivatives,0.999,,,,C50H83N7O12,973.6098,Cyclic peptides,0.955,Amino acids and Peptides,0.984,Oligopeptides,0.999,C50H84N7O12+,1324.56,5401
,,,,,,,,,,,,,,,,616.4662,,,,,,,,1326.44,5404
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.986,Amino acids and derivatives,0.926,Alpha amino acids and derivatives,0.814,"Amino acids, peptides, and analogues",0.936,Organic acids and derivatives,0.997,,,,C42H64N6O5,732.4916,Cyclic peptides,0.198,Amino acids and Peptides,0.935,Oligopeptides,0.941,C42H65N6O5+,1328.15,5411
,,,,,,,,,,,,,,,,711.5269,,,,,,,,1334.82,5431
,,,,,,,,,,,,,,,,616.4665,,,,,,,,1335.95,5434
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Tertiary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.93,Amino acids and derivatives,0.862,Alpha amino acids and derivatives,0.644,"Amino acids, peptides, and analogues",0.873,Organic acids and derivatives,0.965,,,,C42H64N6O5,732.4919,Cyclic peptides,0.036,Amino acids and Peptides,0.774,Oligopeptides,0.567,C42H65N6O5+,1337.15,5437
,,,,,,,,,,,,,,,,732.5348,,,,,,,,1339.47,5442
,,,,,,,,,,,,,,,,784.5661,,,,,,,,1343.02,5458
,,,,,,,,,,,,,,,,616.4667,,,,,,,,1344.98,5461
,,,,,,,,,,,,,,,,745.5753,,,,,,,,1345.67,5464
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Benzenoids; Amines; Tertiary amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.979,Amino acids and derivatives,0.887,Alpha amino acids and derivatives,0.603,"Amino acids, peptides, and analogues",0.897,Organic acids and derivatives,0.992,,,,C42H64N6O5,732.4918,Cyclic peptides,0.064,Amino acids and Peptides,0.731,Oligopeptides,0.413,C42H65N6O5+,1345.08,5466
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Benzoic acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Benzoyl derivatives; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; Carboxylic acid esters; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.976,Amino acids and derivatives,0.711,Amino acids and derivatives,0.711,"Amino acids, peptides, and analogues",0.713,Organic acids and derivatives,0.98,,,,C24H42N2O6,454.3053,Antimycins,0.048,Amino acids and Peptides,0.624,Small peptides,0.141,C24H43N2O6+,1352.34,5480
[M - H2O + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Fatty acyl glycosides; Carbonyl compounds; Oxanes; Glycosyl compounds; Alkyl glycosides; O-glycosyl compounds; Polyols; Glycosphingolipids; Fatty acyl glycosides of mono- and disaccharides; Fatty Acyls; Organic oxides; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sphingolipids,0.797,,,Glycosphingolipids,0.782,Glycosphingolipids,0.782,Lipids and lipid-like molecules,0.966,,,,C41H75NO9,725.5422,Neutral glycosphingolipids,0.992,Fatty acids,0.995,Spingolipids,0.998,C41H74NO8+,1359.78,5500
,,,,,,,,,,,,,,,,725.5428,,,,,,,,1359.78,5503
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Sphingolipids; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Neutral glycosphingolipids; Simple glycosylceramides; Hexoses; Monosaccharides; Acetals; Secondary alcohols; Secondary carboxylic acid amides; Fatty acyl glycosides; Oxanes; Glycosyl compounds; Alkyl glycosides; O-glycosyl compounds; Polyols; Glycosphingolipids; Fatty acyl glycosides of mono- and disaccharides; Fatty Acyls; Oxacyclic compounds; Hydrocarbon derivatives; Glycosyl-N-acylsphingosines; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Sphingolipids,0.97,Neutral glycosphingolipids,0.63,Glycosyl-N-acylsphingosines,0.588,Glycosphingolipids,0.975,Lipids and lipid-like molecules,0.992,,,,C41H75NO9,725.5425,Neutral glycosphingolipids,1,Fatty acids,1,Spingolipids,1,C41H76NO9+,1358.92,5504
,,,,,,,,,,,,,,,,784.5665,,,,,,,,1361.44,5516
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Macrolactams; Alcohols and polyols; Lactams; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Cyclic peptides; Benzene and substituted derivatives; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.995,Peptides,0.713,Oligopeptides,0.654,"Amino acids, peptides, and analogues",0.981,Organic acids and derivatives,0.998,,,,C50H81N7O11,955.5956,Lipopeptides,0.783,Amino acids and Peptides,0.974,Oligopeptides,0.998,C50H82N7O11+,1366.13,5524
[M + H]+,Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Thiazoles; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Azoles; Carboxylic acid derivatives; Carbonyl compounds; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,,,,,Lipids and lipid-like molecules,0.524,,,Lipids and lipid-like molecules,0.524,,,,C44H79N3O4S,745.5761,Open-chain polyketides,0.66,Amino acids and Peptides,0.514,Linear polyketides,0.863,C44H80N3O4S+,1368.25,5532
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Peptides,0.686,Peptides,0.686,"Amino acids, peptides, and analogues",0.981,Organic acids and derivatives,0.996,,,,C51H77N11O7,955.6029,Linear peptides,0.569,Amino acids and Peptides,0.994,Oligopeptides,0.998,C51H76N11O6+,1375.93,5541
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Lactones; Alpha amino acids and derivatives; Ketones; Alcohols and polyols; Macrolides and analogues; Lactams; Piperidines; Ethers; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Alpha amino acid esters; Carboxylic acid amides; Hemiacetals; Carboxylic acid derivatives; Monocarboxylic acids and derivatives; Dialkyl ethers; Carboxylic acid esters; Secondary alcohols; Tertiary carboxylic acid amides; Carbonyl compounds; Macrolide lactams; Oxanes; Cyclic ketones; Organic oxides; Azacyclic compounds; Oxacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.999,Amino acids and derivatives,0.793,Alpha amino acid esters,0.646,"Amino acids, peptides, and analogues",0.799,Organic acids and derivatives,0.999,,,,C54H85NO13,955.6023,Ascomycins and Rapamycins,0.971,Polyketides,0.989,Macrolides,0.999,C54H86NO13+,1375.82,5543
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary carboxylic acid amides; Carbonyl compounds; Alpha amino acid amides; Amines; Fatty Acyls; Organic oxides; Azacyclic compounds; Heteroaromatic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.964,Amino acids and derivatives,0.895,Alpha amino acid amides,0.502,"Amino acids, peptides, and analogues",0.906,Organic acids and derivatives,0.984,,,,C40H64N6O5,708.4922,Linear peptides,0.072,Amino acids and Peptides,0.74,Oligopeptides,0.76,C40H65N6O5+,1375.56,5549
,,,,,,,,,,,,,,,,624.5683,,,,,,,,1386.42,5578
,,,,,,,,,,,,,,,,600.4731,,,,,,,,1398.57,5607
,,,,,,,,,,,,,,,,768.6644,,,,,,,,1404.75,5627
,,,,,,,,,,,,,,,,769.6673,,,,,,,,1407.72,5631
[M - H2O + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenethylamines; Amphetamines and derivatives; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Guanidines; Monoalkylamines; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; N-acyl-alpha amino acids; Benzenoids; Carboximidamides; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Phenylalanine and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.991,Peptides,0.838,Peptides,0.838,"Amino acids, peptides, and analogues",0.986,Organic acids and derivatives,0.997,,,,C40H71N7O7,761.5418,Linear peptides,0.866,Amino acids and Peptides,0.992,Oligopeptides,0.996,C40H70N7O6+,1419,5652
,,,,,,,,,,,,,,,,952.5507,,,,,,,,1421.45,5662
[M + Na]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Pyrrolidines; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Primary alcohols; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Primary carboxylic acid amides; Secondary carboxylic acid amides; Tertiary carboxylic acid amides; Carbonyl compounds; Pyrrolidine carboxylic acids and derivatives; Pyrrolidinecarboxamides; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; N-acylpyrrolidines; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Proline and derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Oligopeptides; Chemical entities",Carboxylic acids and derivatives,0.998,Peptides,0.805,Oligopeptides,0.617,"Amino acids, peptides, and analogues",0.994,Organic acids and derivatives,1,,,,C45H76N8O14,952.5502,Cyclic peptides,0.677,Amino acids and Peptides,0.972,Oligopeptides,0.997,C45H76N8NaO14+,1422,5664
[M - H2O + H]+,"Organic compounds; Organoheterocyclic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Phenylpropanoids and polyketides; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Peptides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Alpha amino acid amides; Benzenoids; Fatty Acyls; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.99,Peptides,0.636,Peptides,0.636,"Amino acids, peptides, and analogues",0.967,Organic acids and derivatives,0.996,,,,C40H71N7O7,761.5426,Lipopeptides,0.353,Amino acids and Peptides,0.989,Oligopeptides,0.996,C40H70N7O6+,1429.48,5675
,,,,,,,,,,,,,,,,768.6645,,,,,,,,1434.79,5692
,,,,,,,,,,,,,,,,602.4866,,,,,,,,1443.1,5707
,,,,,,,,,,,,,,,,784.5669,,,,,,,,1444.9,5716
,,,,,,,,,,,,,,,,602.4866,,,,,,,,1457.91,5735
,,,,,,,,,,,,,,,,784.566,,,,,,,,1460.48,5737
[M - H2O + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Steroids and steroid derivatives; Organooxygen compounds; Cyclic alcohols and derivatives; Hydroxysteroids; Secondary alcohols; 3-hydroxy delta-5-steroids; Delta-5-steroids; 3-hydroxysteroids; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Steroids and steroid derivatives,0.987,3-hydroxysteroids,0.781,3-hydroxy delta-5-steroids,0.678,Hydroxysteroids,0.748,Lipids and lipid-like molecules,0.998,Polanrazine B_120170,"InChI=1S/C18H23N3O2S2/c1-11(2)18(25-4)16(23)20-17(24-3,15(22)21-18)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,9H2,1-4H3,(H,20,23)(H,21,22)/t17-,18-/m1/s1",O=C([C@](N1)(SC)CC2=CNC3=C2C=CC=C3)N[C@](C(C)C)(SC)C1=O,C28H42O,394.3236,Ergostane steroids,0.776,Terpenoids,0.999,Steroids,0.993,C28H41+,1463.38,5741
[M + H]+,Organic compounds; Lipids and lipid-like molecules; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Secondary alcohols; Secondary carboxylic acid amides; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Fatty Acyls,0.674,N-acyl amines,0.726,N-acyl amines,0.726,Fatty amides,0.677,Lipids and lipid-like molecules,0.8,,,,C23H42N2O3,394.3234,Open-chain polyketides,0.522,Fatty acids,0.671,Linear polyketides,0.69,C23H43N2O3+,1463.37,5743
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organooxygen compounds; Monosaccharides; Acetals; Secondary alcohols; Fatty acyl glycosides; Oxanes; Glycosyl compounds; Alkyl glycosides; O-glycosyl compounds; Polyols; Fatty acyl glycosides of mono- and disaccharides; Fatty Acyls; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.714,Alkyl glycosides,0.54,Alkyl glycosides,0.54,Fatty acyl glycosides,0.563,Lipids and lipid-like molecules,0.923,,,,C42H80O10,744.5747,Open-chain polyketides,0.348,Terpenoids,0.488,Triterpenoids,0.254,C42H81O10+,1464.42,5747
[M + H]+,Organic compounds; Organosulfur compounds; Lipids and lipid-like molecules; Organic acids and derivatives; Carboxylic acids and derivatives; Organooxygen compounds; Fatty acid esters; Dicarboxylic acids and derivatives; Carboxylic acid derivatives; Thioethers; Carboxylic acid esters; Carbonyl compounds; Sulfenyl compounds; Dialkylthioethers; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Fatty Acyls,0.635,,,Fatty acid esters,0.526,Fatty acid esters,0.526,Lipids and lipid-like molecules,0.596,,,,C35H68O5S,600.4776,Wax monoesters,0.449,Fatty acids,0.964,Fatty esters,0.928,C35H69O5S+,1462.3,5749
[M + H]+,Organic compounds; Organosulfur compounds; Hydrocarbon derivatives; Chemical entities,,,,,Organosulfur compounds,0.894,,,Organosulfur compounds,0.894,,,,C36H72S3,600.4775,Monocyclic monoterpenoids,0.188,Fatty acids,0.637,Fatty acyls,0.587,C36H73S3+,1462.31,5750
[M + H]+,"Organic compounds; Lipids and lipid-like molecules; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Fatty amides; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl amines; Monocarboxylic acids and derivatives; N-acyl-alpha amino acids and derivatives; Secondary alcohols; Primary carboxylic acid amides; Secondary carboxylic acid amides; Peptidomimetics; Carbonyl compounds; Fatty Acyls; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.996,Amino acids and derivatives,0.954,N-acyl-alpha amino acids and derivatives,0.526,"Amino acids, peptides, and analogues",0.964,Organic acids and derivatives,0.999,,,,C39H78N4O9,746.5755,Lipopeptides,0.676,Amino acids and Peptides,0.856,Oligopeptides,0.981,C39H79N4O9+,1463.38,5751
,,,,,,,,,,,,,,,,768.6648,,,,,,,,1462.62,5755
,,,,,,,,,,,,,,,,768.6645,,,,,,,,1488.93,5799
[M + H]+,Organic compounds; Organoheterocyclic compounds; Carbohydrates and carbohydrate conjugates; Lipids and lipid-like molecules; Alcohols and polyols; Ethers; Prenol lipids; Organooxygen compounds; Acetals; Secondary alcohols; Oxanes; O-glycosyl compounds; Polyols; Fatty Acyls; Oxacyclic compounds; Hydrocarbon derivatives; Organic oxygen compounds; Chemical entities,Organooxygen compounds,0.998,Glycosyl compounds,0.495,O-glycosyl compounds,0.535,Carbohydrates and carbohydrate conjugates,0.512,Organic oxygen compounds,0.999,,,,C42H80O10,744.575,Open-chain polyketides,0.207,Terpenoids,0.69,Triterpenoids,0.501,C42H81O10+,1491.06,5805
,,,,,,,,,,,,,,,,768.6645,,,,,,,,1493.11,5807
[M + H]+,"Organic compounds; Organoheterocyclic compounds; Amino acids, peptides, and analogues; Alpha amino acids and derivatives; Alcohols and polyols; Organic acids and derivatives; Carboxylic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Amino acids and derivatives; Carboxylic acid amides; Carboxylic acid derivatives; N-acyl-alpha amino acids and derivatives; Carboxylic acids; Secondary carboxylic acid amides; Carbonyl compounds; Benzene and substituted derivatives; Benzenoids; Amines; Organic 1,3-dipolar compounds; Propargyl-type 1,3-dipolar organic compounds; Organic oxides; Azacyclic compounds; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities",Carboxylic acids and derivatives,0.957,Amino acids and derivatives,0.843,N-acyl-alpha amino acids and derivatives,0.566,"Amino acids, peptides, and analogues",0.857,Organic acids and derivatives,0.985,,,,C27H38N6O8,574.2746,Cyclic peptides,0.235,Amino acids and Peptides,0.911,Oligopeptides,0.916,C27H39N6O8+,1514.58,6096
[M + H]+,Organic compounds; Organosulfur compounds; Alkyl aryl ethers; Ethers; Organic acids and derivatives; Organonitrogen compounds; Organooxygen compounds; Organic oxides; Hydrocarbon derivatives; Organopnictogen compounds; Organic oxygen compounds; Organic nitrogen compounds; Chemical entities,Organooxygen compounds,0.964,Alkyl aryl ethers,0.623,Alkyl aryl ethers,0.623,Ethers,0.648,Organic oxygen compounds,1,,,,C7H18NO4S,212.0951,Pyridine alkaloids,0.466,Alkaloids,0.694,Nicotinic acid alkaloids,0.468,C7H19NO4S+,1517.67,6133
,,,,,,,,,,,,,,,,755.6202,,,,,,,,1522.69,6158