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CHEBI:215784 - Palustrisoic acid A
| Formula | C37H58O9 |
| Net Charge | 0 |
| Average Mass | 646.862 |
| Monoisotopic Mass | 646.40808 |
| 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]1[C@H](O)C3)[C@H](C)C(=O)O |
| InChI | InChI=1S/C37H58O9/c1-20(22(3)32(43)44)10-11-21(2)23-12-15-36(8)25-16-26(38)31-33(4,5)28(46-30(42)19-34(6,45)18-29(40)41)13-14-35(31,7)24(25)17-27(39)37(23,36)9/h21-23,26-28,31,38-39,45H,1,10-19H2,2-9H3,(H,40,41)(H,43,44)/t21-,22+,23-,26-,27+,28+,31+,34+,35-,36+,37+/m1/s1 |
| InChIKey | VVGQXMOSIRGYCB-TZNBBGRUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis palustris (ncbitaxon:2870670) | - | PubMed (29715599) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Palustrisoic acid A (CHEBI:215784) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,6R)-6-[(3S,5R,6R,10S,12S,13R,14S,17R)-3-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy-6,12-dihydroxy-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 |
|---|---|
| 78442193 | ChemSpider |