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petunidin 3-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM727628

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

formula

C₂₂H₂₃O₁₂

charge

mass

479.1184

reference

chebi:31985

InChIKey

CCQDWIRWKWIUKK-QKYBYQKWSA-O

InChI

InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1

SMILES

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31985 chebi:31985	petunidin 3-O-beta-D-glucoside 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranoside Petunidin 3-O-beta-D-glucopyranoside Petunidin 3-glucoside
sabiork.compound:14175 sabiorkM:14175 kegg.compound:C12139 keggC:C12139	Petunidin 3-O-glucoside Petunidin 3-glucoside
hmdb:HMDB0038097	Petunidin 3-glucoside 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium Petunidin 3-O-b-D-glucopyranoside Petunidin 3-O-b-D-glucoside Petunidin 3-O-beta-D-glucopyranoside Petunidin 3-O-beta-D-glucoside Petunidin-3-glucoside
seed.compound:cpd08921 seedM:cpd08921	Petunidin 3-glucoside Petunidin 3-O-glucoside
metacyc.compound:CPD-22375 metacycM:CPD-22375	petunidin-3-O-beta-D-glucoside petunidin-3-O-beta-D-glucopyranoside petunidin-3-monoglucoside
hmdb:HMDB38097 keggC:M_C12139 seedM:M_cpd08921	secondary/obsolete/fantasy identifier