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cyanidin 3-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM726986

	#reac
in my sandbox	0
in MNXref (generic)	24
in models (compartimentalized)	1

formula

C₂₁H₁₉O₁₁

charge

-1

mass

447.09329

reference

chebi:77857

InChIKey

RKWHWFONKJEUEF-GQUPQBGVSA-M

InChI

InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p-1/t16-,17-,18+,19-,21-/m1/s1

SMILES

[O-]c1cc([O-])c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)[o+]c2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77857 chebi:77857	cyanidin 3-O-beta-D-glucoside 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)chromenium-5,7-diolate cyanidin 3-O-beta-D-glucoside(1-)
kegg.compound:C08604 keggC:C08604	Chrysanthemin Cyanidin 3-O-beta-D-glucoside Cyanidin 3-O-glucoside
sabiork.compound:10696 sabiorkM:10696	Cyanidin 3-O-glucoside
seed.compound:cpd05511 seedM:cpd05511	Cyanidin 3-O-glucoside Chrysanthemin Cyanidin 3-O-beta-D-glucoside cyanidin 3-O-beta-D-glucopyranoside cyanidin-3-O-beta-D-glucoside cyanidin-3-O-glucoside kuromanin
hmdb:HMDB0030684	Cyanidin 3-glucoside 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda⁴-chromen-1-ylium 3-(beta-D-Glucopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chloride 3-O-(beta-D-Glucopyranosyl)cyanidin Asterin Chrysanthemin Chrysanthenin Chrysontemin Cyanidin 3-O-b-D-glucoside Cyanidin 3-O-beta-D-glucopyranoside Cyanidin 3-O-beta-D-glucoside Cyanidin 3-O-beta-glucopyranoside Cyanidin 3-O-beta-glucoside Cyanidin 3-O-glucopyranoside Cyanidin 3-O-glucoside Cyanidin 3-O-glucoside chloride Cyanidin 3-beta-D-O-glucoside Cyanidin 3-beta-D-glucopyranoside Cyanidin 3-beta-O-glucoside Cyanidin 3-beta-glucopyranoside Cyanidin 3-beta-glucoside Cyanidin 3-beta-glucoside cation Cyanidin 3-glucoside chloride Cyanidin 3-monoglucoside Cyanidol 3-glucoside Glucocyanidin Kuromamine Kuromanin Kuromanine cyanidin 3-glucoside
CHEBI:61318 chebi:61318	cyanidin 3-O-beta-D-glucoside betaine 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenium-5-olate
CHEBI:28426 chebi:28426	cyanidin 3-O-beta-D-glucoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl beta-D-glucopyranoside Cyanidin 3-O-beta-D-glucoside Cyanidin 3-O-glucoside
metacyc.compound:CPD1F-766 metacycM:CPD1F-766	cyanidin-3-O-beta-D-glucoside Chrysanthemin cyanidin 3-O-beta-D-glucopyranoside cyanidin-3-O-glucoside kuromanin
hmdb:HMDB30684 chebi:23429 chebi:3974 keggC:M_C08604 seedM:M_cpd05511	secondary/obsolete/fantasy identifier