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| Formula | C22H27N2O4 |
| Net Charge | -1 |
| Average Mass | 383.468 |
| Monoisotopic Mass | 383.19763 |
| SMILES | [H][C@@]12C[C@H](/C(=C\OC)C(=O)[O-])[C@H](CC)CN1CCc1c2nc2cccc(OC)c12 |
| InChI | InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)28-3)23-21(14)18(24)10-15(13)16(12-27-2)22(25)26/h5-7,12-13,15,18,23H,4,8-11H2,1-3H3,(H,25,26)/p-1/b16-12+/t13-,15+,18+/m1/s1 |
| InChIKey | USALYFVQBMRXDH-XZNUVMSOSA-M |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16-carboxymitragynine(1−) (CHEBI:760932) is a aromatic ether (CHEBI:35618) |
| 16-carboxymitragynine(1−) (CHEBI:760932) is a carboxylic acid anion (CHEBI:29067) |
| 16-carboxymitragynine(1−) (CHEBI:760932) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| UniProt Name | Source |
|---|---|
| 16-carboxymitragynine | UniProt |