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2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM4767

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₂₁O₁₁

charge

-1

mass

449.10894

reference

chebi:77622

InChIKey

GZTXEEPKLNRIEL-LYXDKPSQSA-M

InChI

InChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/p-1/b4-2+/t16-,18-,19+,20-,21-/m1/s1

SMILES

O=C(/C=C/c1ccc(O)c(O)c1)c1c([O-])cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77622 chebi:77622	2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside 2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside(1-) 2-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-5-(beta-D-glucopyranosyloxy)-3-hydroxyphenolate
kegg.compound:C16408 keggC:C16408	2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside 2',3,4,4',6'-Pentahydroxychalcone 4'-O-beta-D-glucoside PHC 4'-O-glucoside
metacyc.compound:CPD-8633 metacycM:CPD-8633	2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside
CHEBI:66904 chebi:66904	2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside 2',3,4,4',6'-Pentahydroxychalcone 4'-O-glucoside 4-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-3,5-dihydroxyphenyl beta-D-glucopyranoside PHC 4'-O-glucoside
seed.compound:cpd15114 seedM:cpd15114	PHC 4'-O-glucoside 2',3,4,4',6'-Pentahydroxychalcone 4'-O-beta-D-glucoside 2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside
seed.compound:cpd25371 seedM:cpd25371	pentahydroxychalcone 4'-O-glucoside 2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside
keggC:M_C16408 seedM:M_cpd15114 seedM:M_cpd25371	secondary/obsolete/fantasy identifier