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CHEBI:222117 - Officimalonic acid F
| Formula | C35H52O8 |
| Net Charge | 0 |
| Average Mass | 600.793 |
| Monoisotopic Mass | 600.36622 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)OC)C(C)(C)[C@@H]1CC3=O)[C@H](C)C(=O)O |
| InChI | InChI=1S/C35H52O8/c1-19(21(3)31(40)41)10-11-20(2)22-12-15-34(7)30-23(16-26(37)35(22,34)8)33(6)14-13-27(43-29(39)18-28(38)42-9)32(4,5)25(33)17-24(30)36/h20-22,25-27,37H,1,10-18H2,2-9H3,(H,40,41)/t20-,21+,22-,25+,26-,27-,33-,34+,35+/m1/s1 |
| InChIKey | SVNICXKSXGSPGN-READASPFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomes (ncbitaxon:40441) | - | PubMed (27216472) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Officimalonic acid F (CHEBI:222117) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,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-methyl-3-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443422 | ChemSpider |