EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:206954 - Forpinic acid A
| Formula | C40H62O9 |
| Net Charge | 0 |
| Average Mass | 686.927 |
| Monoisotopic Mass | 686.43938 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C |
| InChI | InChI=1S/C40H62O9/c1-23(2)24(3)12-13-26(35(44)45)34-29(48-25(4)41)20-40(10)28-14-15-30-36(5,6)31(49-33(43)22-37(7,46)21-32(42)47-11)17-18-38(30,8)27(28)16-19-39(34,40)9/h23,26,29-31,34,46H,3,12-22H2,1-2,4-11H3,(H,44,45)/t26-,29-,30+,31-,34+,37+,38-,39-,40+/m1/s1 |
| InChIKey | RHWDMEQRIQDNRW-FSKVBULCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis (ncbitaxon:34474) | - | PubMed (31469960) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Forpinic acid A (CHEBI:206954) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-16-acetyloxy-3-[(3S)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy-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 |