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CHEBI:169425 - Malvidin 6-(6-p-coumaroylglucoside)-4-vinylphenol

ChEBI IDCHEBI:169425
ChEBI NameMalvidin 6-(6-p-coumaroylglucoside)-4-vinylphenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H35O15
Net Charge+1
Average Mass755.705
Monoisotopic Mass755.19705
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4oc(-c5ccc(O)cc5)cc(c2OC2OC(COC(=O)/C=C/c5ccc(O)cc5)C(O)C(O)C2O)c43)cc(OC)c1O
InChIInChI=1S/C40H34O15/c1-49-29-13-21(14-30(50-2)34(29)45)38-39(25-17-26(20-6-10-23(42)11-7-20)52-27-15-24(43)16-28(53-38)33(25)27)55-40-37(48)36(47)35(46)31(54-40)18-51-32(44)12-5-19-3-8-22(41)9-4-19/h3-17,31,35-37,40-42,45-48H,18H2,1-2H3/p+1/b12-5+
InChIKeyULNUOTCXYVVKMV-LFYBBSHMSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Malvidin 6-(6-p-coumaroylglucoside)-4-vinylphenol (CHEBI:169425) is a flavonoid (CHEBI:47916)
Malvidin 6-(6-p-coumaroylglucoside)-4-vinylphenol (CHEBI:169425) is a glycoside (CHEBI:24400)
IUPAC Name 
[3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)-4-[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium