CHEBI:61505 - cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside
ChEBI ID CHEBI:61505
ChEBI ASCII Name cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside
Definition An anthocyanin cation comprising cyanidin(1+) having a β-D-glucopyranuronosyl-(1→2)-β-D-glucopyranosyl residue attached at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H29O17
Net Charge +1
Average Mass 625.50900
Monoisotopic Mass 625.13993
InChI InChI=1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/p+1/t16-,17-,18+,19+,20+,21-,23+,24-,26+,27-/m1/s1
InChIKey QLKOQFLYESIQLL-ZJNQYPEASA-O
SMILES OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside (CHEBI:61505) has functional parent cyanidin cation (CHEBI:27843)
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside (CHEBI:61505) is a β-D-glucoside (CHEBI:22798)
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside (CHEBI:61505) is a anthocyanin cation (CHEBI:35218)
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside (CHEBI:61505) is conjugate acid of cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside betaine (CHEBI:61317)
Incoming cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside betaine (CHEBI:61317) is conjugate base of cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside (CHEBI:61505)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl β-D-glucopyranuronosyl-(1→2)-β-D-glucopyranoside
Synonym Source
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranoside IUPAC
Last Modified
25 February 2011