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CHEBI:215809 - Palustrisoic acid C
| Formula | C37H58O8 |
| Net Charge | 0 |
| Average Mass | 630.863 |
| Monoisotopic Mass | 630.41317 |
| SMILES | C=C(CC[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)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O |
| InChI | InChI=1S/C37H58O8/c1-21(23(3)32(42)43)10-11-22(2)24-14-17-36(8)25-12-13-27-33(4,5)29(45-31(41)20-34(6,44)19-30(39)40)15-16-35(27,7)26(25)18-28(38)37(24,36)9/h22-24,27-29,38,44H,1,10-20H2,2-9H3,(H,39,40)(H,42,43)/t22-,23+,24-,27+,28-,29+,34+,35-,36+,37+/m1/s1 |
| InChIKey | PDPHXWNFSFMLOA-JAKLSMARSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis palustris (ncbitaxon:2870670) | - | PubMed (29715599) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Palustrisoic acid C (CHEBI:215809) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,6R)-6-[(3S,5R,10S,12R,13R,14S,17R)-3-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]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-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442197 | ChemSpider |