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CHEBI:187766 - Quercetin 3-(2''-p-coumarylglucoside)

ChEBI IDCHEBI:187766
ChEBI NameQuercetin 3-(2''-p-coumarylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O14
Net Charge0
Average Mass610.524
Monoisotopic Mass610.13226
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@@H]1C(O)[C@H](O)C(CO)O[C@H]1Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C30H26O14/c31-12-21-24(38)26(40)29(43-22(37)8-3-13-1-5-15(32)6-2-13)30(42-21)44-28-25(39)23-19(36)10-16(33)11-20(23)41-27(28)14-4-7-17(34)18(35)9-14/h1-11,21,24,26,29-36,38,40H,12H2/b8-3+/t21?,24-,26?,29-,30+/m1/s1
InChIKeyUVCBMXSJQAXKON-JJGGHGTDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(2''-p-coumarylglucoside) (CHEBI:187766) is a flavonoids (CHEBI:72544)
Quercetin 3-(2''-p-coumarylglucoside) (CHEBI:187766) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24844868ChemSpider
LMPK12112142LIPID MAPS