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Albireodelphin

Properties

Image

Occurences in reactions

MNX_ID

MNXM5119

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

formula

C₄₂H₄₇O₂₅

charge

mass

951.24009

reference

chebi:80469

InChIKey

BIBNUKILYWNEFA-XQCSBWSISA-O

InChI

InChI=1S/C42H46O25/c43-11-25-30(51)33(54)36(57)41(65-25)63-23-7-15(6-20(48)29(23)50)39-24(64-42-37(58)34(55)31(52)26(12-44)66-42)10-17-21(61-39)8-16(45)9-22(17)62-40-38(59)35(56)32(53)27(67-40)13-60-28(49)4-2-14-1-3-18(46)19(47)5-14/h1-10,25-27,30-38,40-44,51-59H,11-13H2,(H4-,45,46,47,48,49,50)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/s1

SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)c(O[C@@H]4O[C@H](CO)[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:80469 chebi:80469	Albireodelphin
seed.compound:cpd15070 seedM:cpd15070 kegg.compound:C16354 keggC:C16354	Albireodelphin Delphinidin 3,3'-diglucoside 5-(6-caffeoyl)glucoside
metacyc.compound:CPD-7963 metacycM:CPD-7963	delphinidin 3-O-glucosyl-5-O-(caffeoylglucoside-3'-O-glucoside)
seed.compound:cpd24995 seedM:cpd24995	delphinidin 3-O-glucosyl-5-O-caffeoylglucoside-3'-O-glucoside delphinidin 3-O-glucosyl-5-O-(caffeoylglucoside-3'-O-glucoside)
keggC:M_C16354 seedM:M_cpd15070 seedM:M_cpd24995	secondary/obsolete/fantasy identifier