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delphinidin 3,3',5-tri-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM5712

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₃H₄₀O₂₂

charge

mass

788.20112

reference

chebi:77844

InChIKey

YDAVXGXZAIUFTB-KCRRSQHJSA-N

InChI

InChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-4-10(37)3-13-11(14)5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(49-13)9-1-12(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1

SMILES

[O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)[o+]c2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77844 chebi:77844	delphinidin 3,3',5-tri-O-beta-D-glucoside 3,5-bis(beta-D-glucopyranosyloxy)-2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]chromenium-7-olate delphinidin 3,3',5-tri-O-beta-D-glucoside betaine
sabiork.compound:28640 sabiorkM:28640	Delphinidin 3,3',5-tri-O-beta-glucoside Delphinidin 3,3',5-tri-O-beta-D-glucoside
sabiork.compound:28638 sabiorkM:28638	Delphinidin 3,3',5-tri-O-glucoside Delphinidin 3,3',5-tri-O-beta-D-glucoside
kegg.compound:C16314 keggC:C16314	Delphinidin 3,5,3'-triglucoside
seed.compound:cpd15030 seedM:cpd15030	Delphinidin 3,5,3'-triglucoside delphinidin 3,3',5-tri-O-beta-D-glucoside delphinidin 3,5,3'-triglucoside
metacyc.compound:CPD-7966 metacycM:CPD-7966	delphinidin 3,3',5-tri-O-beta-D-glucoside delphinidin 3,5,3'-triglucoside
CHEBI:55456 chebi:55456	delphinidin 3,3',5-tri-O-glucoside Delphinidin 3,5,3'-triglucoside
keggC:M_C16314 seedM:M_cpd15030	secondary/obsolete/fantasy identifier