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pelargonidin 3-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM1584

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	3

formula

C₂₁H₂₀O₁₀

charge

mass

432.10565

reference

chebi:144778

InChIKey

ABVCUBUIXWJYSE-GQUPQBGVSA-N

InChI

InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/t16-,17-,18+,19-,21-/m1/s1

SMILES

[O-]c1cc(O)cc2[o+]c(-c3ccc(O)cc3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:144778 chebi:144778	pelargonidin 3-O-beta-D-glucoside 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-olate pelargonidin 3-O-beta-D-glucoside betaine
kegg.compound:C12137 keggC:C12137	Pelargonidin 3-O-glucoside Pelargonidin 3-O-beta-D-glucoside Pelargonidin 3-glucoside
hmdb:HMDB0240551	Pelargonidin 3-glucoside 3-(b-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride 3-(b-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium Callistephin Pelargonidin 3-O-b-D-glucoside Pelargonidin 3-O-beta-D-glucoside Pelargonidin 3-O-beta-glucopyranoside Pelargonidin 3-O-glucoside Pelargonidin-3-Glu Pelargonidin-3-glucopyranoside Pelargonidin-3-glucoside
seed.compound:cpd08919 seedM:cpd08919	Pelargonidin 3-glucoside 3-(beta-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride Pelargonidin 3-O-beta-D-glucoside Pelargonidin 3-O-glucoside callistephin pelargonidin-3-O-beta-D-glucoside
CHEBI:31967 chebi:31967	pelargonidin 3-O-beta-D-glucoside 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium Pelargonidin 3-O-beta-D-glucoside Pelargonidin 3-O-glucoside Pelargonidin 3-glucoside Pelargonidin-3-glucopyranoside Pelargonidin-3-glucoside callistephin
metacyc.compound:PELARGONIDIN-3-GLUCOSIDE-CMPD metacycM:PELARGONIDIN-3-GLUCOSIDE-CMPD	pelargonidin-3-O-beta-D-glucoside 3-(beta-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride callistephin
keggC:M_C12137 seedM:M_cpd08919	secondary/obsolete/fantasy identifier