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CHEBI:175839 - Withaperuvin E
| Formula | C28H36O8 |
| Net Charge | 0 |
| Average Mass | 500.588 |
| Monoisotopic Mass | 500.24102 |
| SMILES | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56C(=O)C=CC(=O)C6(C)C4CCC32C)C1 |
| InChI | InChI=1S/C28H36O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,20-21,32-34H,8-13H2,1-5H3 |
| InChIKey | DHNMHYCYRGRLRY-UHFFFAOYSA-N |
| 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) |
| Withaperuvin E (CHEBI:175839) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| 15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-ene-3,6-dione |
| Manual Xrefs | Databases |
|---|---|
| HMDB0030127 | HMDB |