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CHEBI:175884 - (5alpha,6beta,14alpha,20R,22R)-5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide
| Formula | C28H42O8 |
| Net Charge | 0 |
| Average Mass | 506.636 |
| Monoisotopic Mass | 506.28797 |
| SMILES | CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3(O)C4CC(O)C5(O)CCCC(=O)C5(C)C4CCC23C)C1 |
| InChI | InChI=1S/C28H42O8/c1-15-12-22(36-23(32)16(15)14-29)26(4,33)19-8-11-27(34)18-13-21(31)28(35)9-5-6-20(30)25(28,3)17(18)7-10-24(19,27)2/h17-19,21-22,29,31,33-35H,5-14H2,1-4H3 |
| InChIKey | AYSGOPOJGPEGSU-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) |
| (5alpha,6beta,14alpha,20R,22R)-5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide (CHEBI:175884) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| 5-(hydroxymethyl)-2-[1-hydroxy-1-(5,6,14-trihydroxy-10,13-dimethyl-1-oxo-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethyl]-4-methyl-2,3-dihydropyran-6-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0033198 | HMDB |