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CHEBI:215822 - Palustrisoic acid E
| Formula | C37H58O8 |
| Net Charge | 0 |
| Average Mass | 630.863 |
| Monoisotopic Mass | 630.41317 |
| SMILES | C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O |
| InChI | InChI=1S/C37H58O8/c1-22(23(2)32(42)43)9-10-24(21-38)25-13-17-37(8)27-11-12-28-33(3,4)29(45-31(41)20-34(5,44)19-30(39)40)15-16-35(28,6)26(27)14-18-36(25,37)7/h23-25,28-29,38,44H,1,9-21H2,2-8H3,(H,39,40)(H,42,43)/t23-,24-,25+,28-,29+,34-,35+,36+,37-/m0/s1 |
| InChIKey | WOAOVYIRRFOGFW-VSJVDYLKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis palustris (ncbitaxon:2870670) | - | PubMed (29715599) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Palustrisoic acid E (CHEBI:215822) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,6R)-6-[(3R,5R,10S,13R,14R,17R)-3-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-2-methyl-3-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442199 | ChemSpider |