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CHEBI:204026 - Officimalonic acid H
| Formula | C35H54O7 |
| Net Charge | 0 |
| Average Mass | 586.810 |
| Monoisotopic Mass | 586.38695 |
| 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)[C@H](C)C(=O)O |
| InChI | InChI=1S/C35H54O7/c1-20(22(3)31(39)40)10-11-21(2)23-14-17-34(7)24-12-13-26-32(4,5)28(42-30(38)19-29(37)41-9)15-16-33(26,6)25(24)18-27(36)35(23,34)8/h21-23,26-28,36H,1,10-19H2,2-9H3,(H,39,40)/t21-,22+,23-,26+,27-,28-,33-,34+,35+/m1/s1 |
| InChIKey | VATQJYHZJDBTRN-FPTGVVBESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomes (ncbitaxon:40441) | - | PubMed (27216472) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Officimalonic acid H (CHEBI:204026) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,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-methyl-3-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443388 | ChemSpider |