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CHEBI:198607 - Fomefficinic acid C
| Formula | C31H50O4 |
| Net Charge | 0 |
| Average Mass | 486.737 |
| Monoisotopic Mass | 486.37091 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)C |
| InChI | InChI=1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h18,20,23-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25-,26+,29-,30-,31-/m1/s1 |
| InChIKey | XZEKQUYJGSOILA-ULCNFEHNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomes (ncbitaxon:40441) | - | PubMed (15516768) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fomefficinic acid C (CHEBI:198607) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3R,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9469699 | ChemSpider |