structure_lookup
Converts metabolite names to PubChem CID, InChIKey, formula, and monoisotopic mass, attaching evidence.
Instructions
PubChem: name -> CID / InChIKey / formula / monoisotopic mass. Attaches evidence.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| name | No | ||
| workdir | Yes | ||
| feature_id | Yes |