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CHEBI:215828 - Palustrisoic acid F
| Formula | C38H58O8 |
| Net Charge | 0 |
| Average Mass | 642.874 |
| Monoisotopic Mass | 642.41317 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O |
| InChI | InChI=1S/C38H58O8/c1-22(24(3)33(42)43)11-12-23(2)25-15-18-37(8)26-13-14-28-34(4,5)30(46-32(41)21-35(6,44)20-31(40)45-10)16-17-36(28,7)27(26)19-29(39)38(25,37)9/h23-25,28,30,44H,1,11-21H2,2-10H3,(H,42,43)/t23-,24+,25-,28+,30-,35+,36-,37+,38+/m1/s1 |
| InChIKey | QBLJMSZQHKTGMS-ABPJCGGPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis palustris (ncbitaxon:2870670) | - | PubMed (29715599) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Palustrisoic acid F (CHEBI:215828) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,6R)-6-[(3R,5R,10S,13R,14S,17R)-3-[(3S)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy-4,4,10,13,14-pentamethyl-12-oxo-1,2,3,5,6,7,11,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442200 | ChemSpider |