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delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM2366

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

formula

C₃₀H₃₁O₂₀

charge

-1

mass

711.14142

reference

chebi:58913

InChIKey

YHLZPXCREROAPG-YEQKKNNOSA-M

InChI

InChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-2-9(1-13(34)21(15)38)28-16(5-11-12(33)3-10(32)4-14(11)46-28)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p-1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1

SMILES

O=C([O-])CC(=O)OC[C@H]1O[C@@H](Oc2cc3c([O-])cc(O)cc3[o+]c2-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)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:58913 chebi:58913	delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside 2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-7-hydroxy-5-oxidochromenium-3-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside-3'-O-beta-D-glucoside anion delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside-3'-O-beta-D-glucoside(1-)
kegg.compound:C16304 keggC:C16304	Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside
seed.compound:cpd15020 seedM:cpd15020	Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside delphinidin-3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
CHEBI:55336 chebi:55336	delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside 2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
metacyc.compound:CPD-7870 metacycM:CPD-7870	delphinidin-3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
keggC:M_C16304 seedM:M_cpd15020	secondary/obsolete/fantasy identifier