CHEBI:29560 - cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)

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ChEBI Name cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)
ChEBI ID CHEBI:29560
ChEBI ASCII Name cyanidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)
Definition An anthocyanin cation that is cyanidin substituted at position 3 by a 6-O-(trans-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 595.52760
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 O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) has functional parent trans-4-coumaric acid (CHEBI:32374)
cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a β-D-glucoside (CHEBI:22798)
cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a cinnamate ester (CHEBI:36087)
cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a monosaccharide derivative (CHEBI:63367)
cyanidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:29560) is a polyphenol (CHEBI:26195)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
Synonyms Sources
cyanidin 3-O-(6-O-(E)-p-coumaroyl-β-D-glucoside) ChEBI
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside KEGG COMPOUND
Manual Xrefs Databases
C12095 KEGG COMPOUND
LMPK12010139 LIPID MAPS
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Registry Number Type Source
6556273 Reaxys Registry Number Reaxys
Last Modified
29 March 2018