Metabolomics WorkBench Compound Dictionary

mwTAB file for each study in the Metabolomics Workbench (https://www.metabolomicsworkbench.org/) was processed through an automated data merging pipeline. It yielded -

~237,333 unique chemical names

~13,810 PubChem CIDs

~14,298 KEGG IDs

~5,130 CAS Numbers

- 147 unique species

- 175 unique sample type

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