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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Malvidin 6-(6-p-coumaroylglucoside)-4-vinylphenol
ChEBI ID CHEBI:169425
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H35O15
Net Charge +1
Average Mass 755.704
Monoisotopic Mass 755.19705
InChI InChI=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+
InChIKey ULNUOTCXYVVKMV-LFYBBSHMSA-O
SMILES O1C(C(O)C(O)C(O)C1OC=2C3=C4C(OC2C5=CC(OC)=C(O)C(OC)=C5)=CC(=[OH+])C=C4OC(=C3)C6=CC=C(O)C=C6)COC(=O)/C=C/C7=CC=C(O)C=C7
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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