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delphinidin 3-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM1474

	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	2

formula

C₂₁H₂₀O₁₂

charge

mass

464.09548

reference

chebi:144776

InChIKey

XENHPQQLDPAYIJ-PEVLUNPASA-N

InChI

InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/t15-,17-,18+,19-,21-/m1/s1

SMILES

[O-]c1cc(O)cc2[o+]c(-c3cc(O)c(O)c(O)c3)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:144776 chebi:144776	delphinidin 3-O-beta-D-glucoside 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate delphinidin 3-O-beta-D-glucoside betaine
kegg.compound:C12138 keggC:C12138	Delphinidin 3-O-glucoside Delphinidin 3-O-beta-D-glucoside Delphinidin 3-glucoside Mirtillin
sabiork.compound:14174 sabiorkM:14174	Delphinidin 3-O-glucoside Delphinidin 3-glucoside Mirtillin
hmdb:HMDB0037997	Delphinidin 3-glucoside 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium Delfinidin 3-O-b-D-glucoside Delfinidin 3-O-beta-D-glucoside Delphinidin 3-O-b-D-glucoside Delphinidin 3-O-beta-D-glucopyranoside Delphinidin 3-O-beta-D-glucoside Delphinidin 3-O-beta-glucoside Delphinidin 3-O-glucopyranoside Delphinidin 3-O-glucoside Delphinidin 3-monoglucoside Delphinidin-3-glucoside Delphinidol 3-glucoside Mirtillin Myrtillin Myrtillin a
seed.compound:cpd08920 seedM:cpd08920	Mirtillin Delphinidin 3-O-beta-D-glucoside Delphinidin 3-O-glucoside Delphinidin 3-glucoside delfinidin-3-O-glucoside delphinidin-3-O-beta-D-glucoside
CHEBI:31463 chebi:31463	delphinidin 3-O-beta-D-glucoside 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl beta-D-glucopyranoside Delphinidin 3-O-beta-D-glucoside Delphinidin 3-O-glucoside Delphinidin 3-glucoside delfinidin 3-O-beta-D-glucoside
metacyc.compound:CPD-7117 metacycM:CPD-7117	delphinidin-3-O-beta-D-glucoside delfinidin-3-O-glucoside
hmdb:HMDB37997 keggC:M_C12138 seedM:M_cpd08920	secondary/obsolete/fantasy identifier