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quercetin 3-O-(6-O-malonyl-beta-D-glucoside)

Properties

Image

Occurences in reactions

MNX_ID

MNXM12833

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

formula

C₂₄H₂₂O₁₅

charge

mass

550.09587

reference

chebi:32080

InChIKey

NBQPHANHNTWDML-UJKBSQBPSA-N

InChI

InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1

SMILES

O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32080 chebi:32080	quercetin 3-O-(6-O-malonyl-beta-D-glucoside) 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside Quercetin 3-(6''-malonylglucoside) Quercetin 3-O-malonylglucoside Quercetin-3-O-(6''-malonylglucoside)
kegg.compound:C12638 keggC:C12638	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside) Quercetin 3-O-malonylglucoside Quercetin-3-O-(6''-malonylglucoside)
seed.compound:cpd09269 seedM:cpd09269	Quercetin 3-O-malonylglucoside Quercetin 3-O-(6-O-malonyl-beta-D-glucoside) Quercetin-3-O-(6''-malonylglucoside)
CHEBI:169948 chebi:169948	quercetin 3-O-(6-O-malonyl-beta-D-glucoside) quercetin 3-O-(6-O-malonyl-beta-D-glucoside)(2-)
metacyc.compound:CPD-21602 metacycM:CPD-21602	quercetin 3-O-beta-D-(6"-O-malonyl)glucoside quercetin 3-malonylglucoside
keggC:M_C12638 seedM:M_cpd09269	secondary/obsolete/fantasy identifier