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

Properties

Image

Occurences in reactions

MNX_ID

MNXM6373

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

formula

C₂₄H₂₃O₁₃

charge

mass

519.11332

reference

chebi:31965

InChIKey

XLZUBCUKXQFBKB-JZWLZXDTSA-O

InChI

InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/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)cc2)[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:31965 chebi:31965	pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) 5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
kegg.compound:C12642 keggC:C12642	Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
seed.compound:cpd09273 seedM:cpd09273	Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) pelargonidin-3-O-(6"-O-malonyl-beta-D-glucoside) pelargonidin-3-O-(6-O-malonyl-beta-D-glucoside)
metacyc.compound:CPD-7149 metacycM:CPD-7149	pelargonidin-3-O-(6"-O-malonyl-beta-D-glucoside)
keggC:M_C12642 seedM:M_cpd09273	secondary/obsolete/fantasy identifier