EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:204563 - Zhankuic acid D
| Formula | C31H44O5 |
| Net Charge | 0 |
| Average Mass | 496.688 |
| Monoisotopic Mass | 496.31887 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3=O)C(C)C(=O)OCC |
| InChI | InChI=1S/C31H44O5/c1-8-36-29(35)19(4)17(2)9-10-18(3)21-11-12-22-27-25(33)15-23-20(5)24(32)13-14-30(23,6)28(27)26(34)16-31(21,22)7/h18-23H,2,8-16H2,1,3-7H3/t18-,19?,20+,21-,22+,23?,30+,31-/m1/s1 |
| InChIKey | HTYKEMWVKPSKKC-UUFSJQSLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Antrodia (ncbitaxon:40415) | - | DOI (10.1016/0031-9422(95)00767-9) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Zhankuic acid D (CHEBI:204563) is a ergostanoid (CHEBI:50403) |
| IUPAC Name |
|---|
| ethyl (6R)-2-methyl-3-methylidene-6-[(4S,10S,13R,14R,17R)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate |
| Manual Xrefs | Databases |
|---|---|
| 78440999 | ChemSpider |