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CHEBI:215779 - Palustrisolide E
| Formula | C37H56O8 |
| Net Charge | 0 |
| Average Mass | 628.847 |
| Monoisotopic Mass | 628.39752 |
| SMILES | CC1=C(C)[C@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C[C@H](O)[C@]23C)[C@@]2(C)CC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]2CC4)OC1=O |
| InChI | InChI=1S/C37H56O8/c1-20(16-26-21(2)22(3)32(42)44-26)23-12-15-36(8)24-10-11-27-33(4,5)29(45-31(41)19-34(6,43)18-30(39)40)13-14-35(27,7)25(24)17-28(38)37(23,36)9/h20,23,26-29,38,43H,10-19H2,1-9H3,(H,39,40)/t20-,23-,26+,27+,28+,29+,34+,35-,36+,37+/m1/s1 |
| InChIKey | LBKWQFFXMHXISP-QAXWHNCVSA-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 E (CHEBI:215779) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| (3S)-5-[[(3S,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]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442192 | ChemSpider |