Feedback

peonidin 3-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM12604

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₂H₂₂O₁₁

charge

mass

462.11621

reference

chebi:144780

InChIKey

ZZWPMFROUHHAKY-OUUKCGNVSA-N

InChI

InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/t17-,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)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:144780 chebi:144780	peonidin 3-O-beta-D-glucoside 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-5-olate peonidin 3-O-beta-D-glucoside betaine
sabiork.compound:14177 sabiorkM:14177 kegg.compound:C12141 keggC:C12141	Peonidin 3-O-glucoside Peonidin-3-glucoside
hmdb:HMDB0013689	Peonidin-3-glucoside 3'-O-Methylcyanidin 3-O-b-D-glucoside 3'-O-Methylcyanidin 3-O-beta-D-glucoside 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium Oxycoccicyanin Peonidin 3-O-b-D-glucoside Peonidin 3-O-beta-D-glucoside Peonidin 3-O-glucoside Peonidin 3-glucoside Peonidin-3-O-glucoside
seed.compound:cpd08923 seedM:cpd08923	Peonidin-3-glucoside Peonidin 3-O-glucoside peonidin 3-O-glucoside peonidin 3-glucoside peonidin-3-O-beta-D-glucoside
CHEBI:74793 chebi:74793	peonidin 3-O-beta-D-glucoside 3'-O-methylcyanidin 3-O-beta-D-glucoside 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl beta-D-glucopyranoside Oxycoccicyanin Peonidin 3-O-glucoside Peonidin-3-glucoside
metacyc.compound:CPD-19094 metacycM:CPD-19094	peonidin-3-O-beta-D-glucoside
hmdb:HMDB13689 chebi:31977 keggC:M_C12141 seedM:M_cpd08923	secondary/obsolete/fantasy identifier