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CHEBI:185022 - Quercetin 7-(6''-acetylglucoside)
| Formula | C23H22O13 |
| Net Charge | 0 |
| Average Mass | 506.416 |
| Monoisotopic Mass | 506.10604 |
| SMILES | CC(=O)OCC1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C23H22O13/c1-8(24)33-7-15-17(28)19(30)21(32)23(36-15)34-10-5-13(27)16-14(6-10)35-22(20(31)18(16)29)9-2-3-11(25)12(26)4-9/h2-6,15,17,19,21,23,25-28,30-32H,7H2,1H3/t15?,17-,19+,21?,23-/m1/s1 |
| InChIKey | VCENEKCOSRMNSZ-DKAYPGPQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Quercetin 7-(6''-acetylglucoside) (CHEBI:185022) is a flavonoids (CHEBI:72544) |
| Quercetin 7-(6''-acetylglucoside) (CHEBI:185022) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| [(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| LMPK12110566 | LIPID MAPS |
| 24843601 | ChemSpider |