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CHEBI:185275 - Physagulin G
| Formula | C36H50O15 |
| Net Charge | 0 |
| Average Mass | 722.781 |
| Monoisotopic Mass | 722.31497 |
| SMILES | CC(=O)OC1C2OC2(C(C)C2CC(COC3OC(CO)C(O)C(O)C3O)=C(C)C(=O)O2)C2(C)CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C12O |
| InChI | InChI=1S/C36H50O15/c1-15-18(14-47-31-27(43)26(42)25(41)22(13-37)50-31)11-21(49-30(15)44)16(2)36-29(51-36)28(48-17(3)38)35(46)20-12-24(40)34(45)9-6-7-23(39)33(34,5)19(20)8-10-32(35,36)4/h6-7,16,19-22,24-29,31,37,40-43,45-46H,8-14H2,1-5H3 |
| InChIKey | LBNOIKRBLYMNFW-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| 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) |
| Physagulin G (CHEBI:185275) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| [2,16,17-trihydroxy-7,11-dimethyl-6-[1-[5-methyl-6-oxo-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0039694 | HMDB |