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CHEBI:209519 - Fomitopsin A
| Formula | C34H50O8 |
| Net Charge | 0 |
| Average Mass | 586.766 |
| Monoisotopic Mass | 586.35057 |
| SMILES | C=C(C(=O)C[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)O)C(C)(C)[C@@H]1CC3)C(C)C(=O)O |
| InChI | InChI=1S/C34H50O8/c1-18(15-24(35)19(2)20(3)30(40)41)21-11-14-33(7)22-9-10-25-31(4,5)27(42-29(39)17-28(37)38)12-13-32(25,6)23(22)16-26(36)34(21,33)8/h18,20-21,25-27,36H,2,9-17H2,1,3-8H3,(H,37,38)(H,40,41)/t18-,20?,21-,25+,26-,27-,32-,33+,34+/m1/s1 |
| InChIKey | SBQVJLOKEGLUHV-PHWQKKSBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Niveoporofomesspeciesaguei (ncbitaxon:270280) | - | PubMed (16002106) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fomitopsin A (CHEBI:209519) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (6R)-6-[(3R,5R,10S,12R,13R,14S,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-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-methylidene-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78437937 | ChemSpider |