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CHEBI:188247 - 1-Acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside
| Formula | C36H54O11 |
| Net Charge | 0 |
| Average Mass | 662.817 |
| Monoisotopic Mass | 662.36661 |
| SMILES | CC(=O)OC1CC(OC2OC(CO)C(O)C(O)C2O)CC2=CCC3C4CCC(C(C)C5CC(C)=C(CO)C(=O)O5)C4(C)CCC3C21C |
| InChI | InChI=1S/C36H54O11/c1-17-12-27(46-33(43)23(17)15-37)18(2)24-8-9-25-22-7-6-20-13-21(45-34-32(42)31(41)30(40)28(16-38)47-34)14-29(44-19(3)39)36(20,5)26(22)10-11-35(24,25)4/h6,18,21-22,24-32,34,37-38,40-42H,7-16H2,1-5H3 |
| InChIKey | SKADEWVNQSRPEJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2224) |
| 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) |
| 1-Acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside (CHEBI:188247) is a glycoside (CHEBI:24400) |
| 1-Acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside (CHEBI:188247) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| [17-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0033729 | HMDB |