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CHEBI:215765 - Palustrisolide C
| Formula | C38H58O9 |
| Net Charge | 0 |
| Average Mass | 658.873 |
| Monoisotopic Mass | 658.40808 |
| 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)=C2CO)[C@@]1(C)[C@@H](O)C3 |
| InChI | InChI=1S/C38H58O9/c1-21(16-27-23(20-39)22(2)33(43)46-27)24-12-15-37(7)25-10-11-28-34(3,4)30(47-32(42)19-35(5,44)18-31(41)45-9)13-14-36(28,6)26(25)17-29(40)38(24,37)8/h21,24,27-30,39-40,44H,10-20H2,1-9H3/t21-,24-,27+,28+,29+,30-,35+,36-,37+,38+/m1/s1 |
| InChIKey | POUMRIGFOZCMNW-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 C (CHEBI:215765) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| 1-O-[(3R,5R,10S,12S,13R,14S,17R)-12-hydroxy-17-[(2R)-1-[(2S)-3-(hydroxymethyl)-4-methyl-5-oxo-2H-uran-2-yl]propan-2-yl]-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 |
|---|---|
| 78442190 | ChemSpider |