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CHEBI:176235 - Quercetin 3-(2-galloylglucoside)

Default Structure
ChEBI IDCHEBI:176235
ChEBI NameQuercetin 3-(2-galloylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O16
Net Charge0
Average Mass616.484
Monoisotopic Mass616.10643
SMILESO=C(OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2
InChIKeyPXGWEUQZDRUMRE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(2-galloylglucoside) (CHEBI:176235) is a flavonoids (CHEBI:72544)
Quercetin 3-(2-galloylglucoside) (CHEBI:176235) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0037367HMDB