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CHEBI:192433 - Malvidin-3-O-(6-p-coumaroyl)glucoside

ChEBI IDCHEBI:192433
ChEBI NameMalvidin-3-O-(6-p-coumaroyl)glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H31O14
Net Charge+1
Average Mass639.586
Monoisotopic Mass639.17083
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@H]2O[C@@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
InChIInChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1/t25-,28-,29+,30-,32-/m0/s1
InChIKeyHXQOVGDXCHFLOP-VNAFEJHWSA-O
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Malvidin-3-O-(6-p-coumaroyl)glucoside (CHEBI:192433) is a flavonoids (CHEBI:72544)
Malvidin-3-O-(6-p-coumaroyl)glucoside (CHEBI:192433) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate