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CHEBI:191433 - Quercetin-4'-glucuronide

ChEBI IDCHEBI:191433
ChEBI NameQuercetin-4'-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O13
Net Charge0
Average Mass478.362
Monoisotopic Mass478.07474
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1
InChIKeyOUQZCILJSVDJFB-JENRNSKYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Quercetin-4'-glucuronide (CHEBI:191433) is a flavonoids (CHEBI:72544)
Quercetin-4'-glucuronide (CHEBI:191433) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
30777025ChemSpider
Registry NumbersSources
CAS:201463-36-7ChemIDplus