CHEBI:131452 - malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside}

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ChEBI Name malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside}
ChEBI ID CHEBI:131452
ChEBI ASCII Name malvidin 3-O-{6-O-[(Z)-caffeoyl]-beta-D-glucoside}
Definition An anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(Z-caffeoyl)-β-D-glucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H31O15
Net Charge +1
Average Mass 655.581
Monoisotopic Mass 655.16575
InChI InChI=1S/C32H30O15/c1-42-22-8-15(9-23(43-2)27(22)38)31-24(12-17-19(35)10-16(33)11-21(17)45-31)46-32-30(41)29(40)28(39)25(47-32)13-44-26(37)6-4-14-3-5-18(34)20(36)7-14/h3-12,25,28-30,32,39-41H,13H2,1-2H3,(H4-,33,34,35,36,37,38)/p+1/t25-,28-,29+,30-,32-/m1/s1
InChIKey LIEHUFTYLLDHTI-KWNZYCHBSA-O
SMILES C=1(C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)COC(/C=C\C3=CC=C(O)C(=C3)O)=O)=CC4=C([O+]1)C=C(O)C=C4O)C5=CC(=C(O)C(=C5)OC)OC
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) See: DOI
Vitis vinifera (NCBI:txid29760) See: MetaboLights Study
Vitis vinifera (NCBI:txid29760) See: PubMed
Vitis vinifera (NCBI:txid29760) See: PubMed
ChEBI Ontology
Outgoing malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) has functional parent cis-caffeic acid (CHEBI:17395)
malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) has functional parent malvidin (CHEBI:6674)
malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a β-D-glucoside (CHEBI:22798)
malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a anthocyanin cation (CHEBI:35218)
malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a aromatic ether (CHEBI:35618)
malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a cinnamate ester (CHEBI:36087)
malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a monosaccharide derivative (CHEBI:63367)
malvidin 3-O-{6-O-[(Z)-caffeoyl]-β-D-glucoside} (CHEBI:131452) is a polyphenol (CHEBI:26195)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
Last Modified
07 March 2016