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cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside

MNXM29181 is deprecated and here replaced by MNXM733529
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM733529

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₂H₃₉O₂₀

charge

mass

743.20292

reference

chebi:138860

InChIKey

OLBLWNPOURNBCY-MRBLLYQQSA-O

InChI

InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1

SMILES

OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc23)[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:138860 chebi:138860	cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
seed.compound:cpd31139 seedM:cpd31139 kegg.compound:C20493 keggC:C20493	Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
seed.compound:cpd31483 seedM:cpd31483	cyanidin 3-sambubioside 5-glucoside cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
metacyc.compound:CPD-18094 metacycM:CPD-18094	cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside cyanidin 3-sambubioside 5-glucoside
keggC:M_C20493 seedM:M_cpd31139 seedM:M_cpd31483	secondary/obsolete/fantasy identifier