EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:212427 - Fomitopinic acid B
| Formula | C32H52O6 |
| Net Charge | 0 |
| Average Mass | 532.762 |
| Monoisotopic Mass | 532.37639 |
| SMILES | 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](CC[C@H](O)C(C)(C)O)C(=O)O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C32H52O6/c1-19(33)38-26-15-16-30(6)22-14-18-31(7)21(20(27(35)36)9-12-25(34)29(4,5)37)13-17-32(31,8)23(22)10-11-24(30)28(26,2)3/h20-21,24-26,34,37H,9-18H2,1-8H3,(H,35,36)/t20-,21-,24+,25+,26-,30-,31-,32+/m1/s1 |
| InChIKey | ZYJIVIYINCIQAB-VMLOCIKXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis pinicola (ncbitaxon:40483) | - | PubMed (15679320) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fomitopinic acid B (CHEBI:212427) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R,5S)-2-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dihydroxy-6-methylheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9412971 | ChemSpider |