Feedback

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM5108

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₂₆O₁₇

charge

-2

mass

622.1181

reference

chebi:77824

InChIKey

QLKOQFLYESIQLL-ZJNQYPEASA-L

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-2/t16-,17-,18+,19+,20+,21-,23+,24-,26+,27-/m1/s1

SMILES

O=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4c([O-])cc([O-])cc4[o+]c3-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77824 chebi:77824	cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside 2-(3,4-dihydroxyphenyl)-3-{[2-O-beta-(beta-D-glucopyranuronosyl)-beta-D-glucopyranosyl]oxy}chromenium-5,7-diolate cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside(2-)
seed.compound:cpd21008 seedM:cpd21008 kegg.compound:C19762 keggC:C19762	Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside
CHEBI:61317 chebi:61317	cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside betaine
CHEBI:61505 chebi:61505	cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranuronosyl-(1->2)-beta-D-glucopyranoside
metacyc.compound:CPD-12729 metacycM:CPD-12729	cyanidin 3-O-beta-(2-O-beta-D-glucosyluronate)-beta-D-glucoside
seed.compound:cpd23554 seedM:cpd23554	cyanidin 3-O-beta-(2-O-beta-D-glucuronosyl)-beta-D-glucoside cyanidin 3-O-beta-(2-O-beta-D-glucosyluronate)-beta-D-glucoside
keggC:M_C19762 seedM:M_cpd21008 seedM:M_cpd23554	secondary/obsolete/fantasy identifier