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Dataset Open Access

Metabolomics WorkBench Compound Dictionary

Dinesh Kumar Barupal

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    <subfield code="a">&lt;p&gt;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&amp;nbsp;~2400 HMDB IDs&amp;nbsp;that were submitted to the Metabolomics WorkBench repository.&amp;nbsp;&lt;/p&gt;

&lt;p&gt;workbench_curated_compound_list.csv contains some of the curated compound names. Basic curation has happened to connect metabolites names to PubChem identifiers.&amp;nbsp;&lt;/p&gt;</subfield>
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