EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:207007 - Formipinic acid D
| Formula | C32H48O5 |
| Net Charge | 0 |
| Average Mass | 512.731 |
| Monoisotopic Mass | 512.35017 |
| SMILES | CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC(=O)[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,21,25-27H,9,11-18H2,1-8H3,(H,35,36)/t21-,25+,26-,27+,30-,31-,32+/m1/s1 |
| InChIKey | ASXVTXVWYAWTOQ-STVBAHQGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis (ncbitaxon:34474) | - | PubMed (31469960) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Formipinic acid D (CHEBI:207007) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-16-oxo-1,2,3,5,6,7,11,12,15,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid |