CHEBI:131451 - cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside}

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ChEBI Name cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside}
ChEBI ID CHEBI:131451
ChEBI ASCII Name cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-beta-D-glucoside}
Definition An anthocyanin cation that is cyanidin substituted at position 3 by a 6-O-(Z-4 coumaryl)-β-D-glucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H27O13
Net Charge +1
Average Mass 595.529
Monoisotopic Mass 595.14462
InChI InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1
InChIKey QAOBEOXFSUJDJL-SHPGVJHPSA-O
SMILES C(OC(/C=C\C1=CC=C(C=C1)O)=O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O2)OC=3C(C4=CC(=C(O)C=C4)O)=[O+]C5=C(C3)C(=CC(O)=C5)O
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 cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) has functional parent cis-4-coumaric acid (CHEBI:17450)
cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a β-D-glucoside (CHEBI:22798)
cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a cinnamate ester (CHEBI:36087)
cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a monosaccharide derivative (CHEBI:63367)
cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-β-D-glucoside} (CHEBI:131451) is a polyphenol (CHEBI:26195)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
Synonyms Sources
cyanidin 3-O-(6-O-(Z)-p-coumaroyl-β-D-glucoside) ChEBI
cyanidin 3-O-(6-O-cis-4-coumaroyl-β-D-glucoside) ChEBI
cyanidin 3-O-(6-O-cis-p-coumaroyl-β-D-glucoside) ChEBI
Registry Number Type Source
11250457 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20826702 PubMed citation Europe PMC
23759170 PubMed citation Europe PMC
Last Modified
29 March 2018