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Dataset Open Access

Metabolomics WorkBench Compound Dictionary

Dinesh Kumar Barupal

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<?xml version='1.0' encoding='utf-8'?>
<oai_dc:dc xmlns:dc="" xmlns:oai_dc="" xmlns:xsi="" xsi:schemaLocation="">
  <dc:creator>Dinesh Kumar Barupal</dc:creator>
  <dc:description>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. </dc:description>
  <dc:title>Metabolomics WorkBench Compound Dictionary</dc:title>
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