CHEBI:85143 - cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside)

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ChEBI Name cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside)
ChEBI ID CHEBI:85143
ChEBI ASCII Name cyanidin 3-O-(2''-O-galloyl-beta-D-galactopyranoside)
Definition An anthocyanin cation that is cyanidin attached to a 2''-O-galloyl-β-D-galactopyranosyl residue at position 3 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H25O15
Net Charge +1
Average Mass 601.48860
Monoisotopic Mass 601.11880
InChI InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23+,24+,26-,28-/m1/s1
InChIKey WUJWGTHCPFBYPP-WZGYZDFVSA-O
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H]1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) has role plant metabolite (CHEBI:76924)
cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a β-D-galactoside (CHEBI:28034)
cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a β-D-glucoside (CHEBI:22798)
cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a gallate ester (CHEBI:37576)
cyanidin 3-O-(2''-O-galloyl-β-D-galactopyranoside) (CHEBI:85143) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 2-O-(3,4,5-trihydroxybenzoyl)-β-D-galactopyranoside
Registry Number Type Source
5371568 Reaxys Registry Number Reaxys
Last Modified
29 March 2018