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

Properties

Image

Occurences in reactions

MNX_ID

MNXM5109

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

formula

C₂₄H₂₃O₁₄

charge

mass

535.10823

reference

chebi:31442

InChIKey

ROQLTZUOXIQBDO-JZWLZXDTSA-O

InChI

InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1

SMILES

O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[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:31442 chebi:31442	cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside Cyanidin 3-O-(6'-O-malonylglucoside) Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) Cyanidin-3-(6'-malonylglucoside)
sabiork.compound:14674 sabiorkM:14674 kegg.compound:C12643 keggC:C12643	Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) Cyanidin 3-O-(6'-O-malonylglucoside) Cyanidin-3-(6'-malonylglucoside)
seed.compound:cpd09274 seedM:cpd09274	Cyanidin-3-(6'-malonylglucoside) Cyanidin 3-O-(6'-O-malonylglucoside) Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) cyanidin 3-(6'-malonylglucoside) cyanidin 3-O-(6"-O-malonyl)-beta-glucoside
metacyc.compound:CPD-16542 metacycM:CPD-16542	cyanidin 3-O-(6"-O-malonyl)-beta-glucoside Cyanidin 3-O-(6'-O-malonylglucoside) cyanidin 3-(6'-malonylglucoside)
keggC:M_C12643 seedM:M_cpd09274	secondary/obsolete/fantasy identifier