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CHEBI:177072 - Quercetin 3-(6-O-acetyl-beta-glucoside)

ChEBI IDCHEBI:177072
ChEBI NameQuercetin 3-(6-O-acetyl-beta-glucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O13
Net Charge0
Average Mass506.416
Monoisotopic Mass506.10604
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
InChIKeyIGLUNMMNDNWZOA-LNNZMUSMSA-N
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(6-O-acetyl-beta-glucoside) (CHEBI:177072) is a flavonoids (CHEBI:72544)
Quercetin 3-(6-O-acetyl-beta-glucoside) (CHEBI:177072) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
8181964ChemSpider
HMDB0029271HMDB