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CHEBI:210121 - Officimalonic acid E
| Formula | C35H54O8 |
| Net Charge | 0 |
| Average Mass | 602.809 |
| Monoisotopic Mass | 602.38187 |
| SMILES | COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[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/C35H54O8/c1-19(16-25(36)20(2)21(3)31(40)41)22-12-15-34(7)23-10-11-26-32(4,5)28(43-30(39)18-29(38)42-9)13-14-33(26,6)24(23)17-27(37)35(22,34)8/h19-22,26-28,37H,10-18H2,1-9H3,(H,40,41)/t19-,20-,21+,22-,26+,27-,28-,33-,34+,35+/m1/s1 |
| InChIKey | LAWBLAWJAKHJFL-QIGXFMRVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomes (ncbitaxon:40441) | - | PubMed (27216472) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Officimalonic acid E (CHEBI:210121) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,3R,6R)-6-[(3R,5R,10S,12R,13R,14S,17R)-12-hydroxy-3-(3-methoxy-3-oxopropanoyl)oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443394 | ChemSpider |