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CHEBI:220652 - Officimalonic acid D
| Formula | C35H52O9 |
| Net Charge | 0 |
| Average Mass | 616.792 |
| Monoisotopic Mass | 616.36113 |
| SMILES | COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC(=O)[C@H](C)[C@H](C)C(=O)O)[C@@]1(C)[C@H](O)C3 |
| InChI | InChI=1S/C35H52O9/c1-18(14-23(36)19(2)20(3)31(41)42)21-10-13-34(7)30-22(15-26(38)35(21,34)8)33(6)12-11-27(44-29(40)17-28(39)43-9)32(4,5)25(33)16-24(30)37/h18-21,25-27,38H,10-17H2,1-9H3,(H,41,42)/t18-,19-,20+,21-,25+,26-,27-,33-,34+,35+/m1/s1 |
| InChIKey | VNTQFTKZIBNIBU-INIQLGEBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomes (ncbitaxon:40441) | - | PubMed (27216472) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Officimalonic acid D (CHEBI:220652) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,3R,6R)-6-[(3R,5R,10S,12R,13R,14R,17R)-12-hydroxy-3-(3-methoxy-3-oxopropanoyl)oxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443419 | ChemSpider |