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Published January 16, 2022 | Version v2
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Metabolomics WorkBench Compound Dictionary

  • 1. Icahn School of Medicine at Mount Sinai


mwTAB file for each study in the Metabolomics Workbench ( was processed through an automated data merging pipeline. It yielded ~135,000 unique chemical names, ~9000 PubChem CIDs, ~6000 KEGG IDs, ~2100 CAS Numbers and ~2400 HMDB IDs that were submitted to the Metabolomics WorkBench repository. 

workbench_curated_compound_list.csv contains some of the curated compound names. Basic curation has happened to connect metabolites names to PubChem identifiers. 



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