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CHEBI:215755 - Palustrisolide A
| Formula | C38H58O8 |
| Net Charge | 0 |
| Average Mass | 642.874 |
| Monoisotopic Mass | 642.41317 |
| SMILES | COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)C[C@@H]2OC(=O)C(C)=C2C)[C@@]1(C)[C@@H](O)C3 |
| InChI | InChI=1S/C38H58O8/c1-21(17-27-22(2)23(3)33(42)45-27)24-13-16-37(8)25-11-12-28-34(4,5)30(46-32(41)20-35(6,43)19-31(40)44-10)14-15-36(28,7)26(25)18-29(39)38(24,37)9/h21,24,27-30,39,43H,11-20H2,1-10H3/t21-,24-,27+,28+,29+,30-,35+,36-,37+,38+/m1/s1 |
| InChIKey | SKKGKBYNUUBYFX-QGGAKJLRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis palustris (ncbitaxon:2870670) | - | PubMed (29715599) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Palustrisolide A (CHEBI:215755) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| 1-O-[(3R,5R,10S,12S,13R,14S,17R)-17-[(2R)-1-[(2S)-3,4-dimethyl-5-oxo-2H-uran-2-yl]propan-2-yl]-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-O-methyl (3S)-3-hydroxy-3-methylpentanedioate |
| Manual Xrefs | Databases |
|---|---|
| 78442188 | ChemSpider |