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CHEBI:191661 - Quercetin 3,7,4'-O-triglucoside

ChEBI IDCHEBI:191661
ChEBI NameQuercetin 3,7,4'-O-triglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O22
Net Charge0
Average Mass788.661
Monoisotopic Mass788.20112
SMILESO=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12
InChIInChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-10-4-12(38)18-14(5-10)50-29(30(22(18)42)55-33-28(48)25(45)21(41)17(8-36)54-33)9-1-2-13(11(37)3-9)51-32-27(47)24(44)20(40)16(7-35)53-32/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2
InChIKeyJWSWVKOHVSHWQA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3,7,4'-O-triglucoside (CHEBI:191661) is a flavonoids (CHEBI:72544)
Quercetin 3,7,4'-O-triglucoside (CHEBI:191661) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
Manual XrefsDatabases
HMDB0029262HMDB