CHEBI:185022 - Quercetin 7-(6''-acetylglucoside)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quercetin 7-(6''-acetylglucoside)
ChEBI ID CHEBI:185022
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H22O13
Net Charge 0
Average Mass 506.416
Monoisotopic Mass 506.10604
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
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
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24843601 ChemSpider
LMPK12110566 LIPID MAPS
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