Type: | Approved drug |
PubChem: | 64715 |
DrugBank: | DB06693 |
IUPAC: | (2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester |
Standard InChI: | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 |
Standard InChIKey: | AJLFOPYRIVGYMJ-INTXDZFKSA-N |
SMILES: | CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21 |
Metabolism-related information: | No data |
Reference: | No data |
Chemical Structure | Metablite's name | Reaction name | Genus | Species | Reference |
---|---|---|---|---|---|
None | Unknown | Unknown | Gut microbiota | Gut microbiota | 10.1038/s41586-019-1291-3 |