Metabolomics WorkBench Compound Dictionary (Q5147)

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Dataset published at Zenodo repository.
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    Metabolomics WorkBench Compound Dictionary
    Dataset published at Zenodo repository.

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      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.
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      11 April 2024
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