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CHEBI:192447 - Quercetin 3-(6''-ferulylglucoside)

ChEBI IDCHEBI:192447
ChEBI NameQuercetin 3-(6''-ferulylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O15
Net Charge0
Average Mass640.550
Monoisotopic Mass640.14282
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
InChIInChI=1S/C31H28O15/c1-42-20-8-13(2-5-17(20)34)3-7-23(37)43-12-22-25(38)27(40)28(41)31(45-22)46-30-26(39)24-19(36)10-15(32)11-21(24)44-29(30)14-4-6-16(33)18(35)9-14/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3/b7-3+/t22-,25-,27+,28-,31+/m1/s1
InChIKeyPSBFVXDMNYDZMV-SMTCTBLTSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(6''-ferulylglucoside) (CHEBI:192447) is a flavonoid (CHEBI:47916)
Quercetin 3-(6''-ferulylglucoside) (CHEBI:192447) 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 (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
9290034ChemSpider
LMPK12112145LIPID MAPS