Table 1.
Example result converting seven PubChem CIDs
| NAME | PubChem CID | InChI Hash Key | KEGG | CAS | ChEBI | LIPID MAPS | HMDB | Formula | Exact Mass |
|---|---|---|---|---|---|---|---|---|---|
| 2-Undecanone | 8163 | KYWIYKKSMDLRDC-UHFFFAOYSA-N | C01875 | 112-12-9 | 17 700 | LMFA12000002 | C11H22O | 170.167 | |
| Apigenin | 5 280 443 | KZNIFHPLKGYRTM-UHFFFAOYSA-N | C01477 | 520-36-5 | 18 388 | LMPK12110005 | HMDB02124 | C15H10O5 | 270.053 |
| l-valine | 6287 | KZSNJWFQEVHDMF-BYPYZUCNSA-N | C00183 | 72-18-4 | 16 414 | HMDB00883 | C5H11NO2 | 117.079 | |
| Valine | 1182 | KZSNJWFQEVHDMF-UHFFFAOYSA-N | C16436 | 516-06-3 | LMFA01100046 | C5H11NO2 | 117.079 | ||
| Igepal CA (630) | 24 775 | LBCZOTMMGHGTPH-UHFFFAOYSA-N | C18H30O3 | 294.219 | |||||
| N-carbamoyl- glutamic acid | 3 679 006 | LCQLHJZYVOQKHU-UHFFFAOYSA-N | C6H10N2O5 | 190.059 | |||||
| Pyruvic acid | 1060 | LCTONWCANYUPML-UHFFFAOYSA-N | C00022 | 127-17-3 | 32 816 | LMFA01060077 | HMDB00243 | C3H4O3 | 88.016 |