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CHEBI:192388 - Quercetin 3-(3'',6''-di-p-coumarylglucoside)

ChEBI IDCHEBI:192388
ChEBI NameQuercetin 3-(3'',6''-di-p-coumarylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H32O16
Net Charge0
Average Mass756.669
Monoisotopic Mass756.16903
SMILESO=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O
InChIInChI=1S/C39H32O16/c40-22-8-1-19(2-9-22)5-13-30(46)51-18-29-33(48)37(54-31(47)14-6-20-3-10-23(41)11-4-20)35(50)39(53-29)55-38-34(49)32-27(45)16-24(42)17-28(32)52-36(38)21-7-12-25(43)26(44)15-21/h1-17,29,33,35,37,39-45,48,50H,18H2/b13-5+,14-6+/t29-,33-,35?,37?,39+/m1/s1
InChIKeyRMWPNUYFHAPTBJ-DHFJGMHJSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(3'',6''-di-p-coumarylglucoside) (CHEBI:192388) is a flavonoid (CHEBI:47916)
Quercetin 3-(3'',6''-di-p-coumarylglucoside) (CHEBI:192388) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12112146LIPID MAPS
24844871ChemSpider