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delphinidin 3,5-bis-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM728688

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

formula

C₂₇H₃₀O₁₇

charge

mass

626.1483

reference

chebi:77838

InChIKey

XCTGXGVGJYACEI-LCENJUANSA-N

InChI

InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/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)c3)[o+]c2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77838 chebi:77838	delphinidin 3,5-bis-O-beta-D-glucoside 3,5-bis(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)chromenium-7-olate delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine
sabiork.compound:28639 sabiorkM:28639	Delphinidin 3,5-di-O-glucoside Delphinidin 3,5-di-O-beta-D-glucoside
hmdb:HMDB0030693	Delphinidin 3,5-diglucoside 7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium Aurobanin a C.I. natural blue Delphin Delphinidin 3,5-O-diglucoside Delphinidin 3-O-b-D-glucoside-5-O-b-D-glucoside Delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside Delphoside? Hyacin
kegg.compound:C16312 keggC:C16312	Delphin Delphinidin 3,5-diglucoside
seed.compound:cpd15028 seedM:cpd15028	Delphin Delphinidin 3,5-diglucoside delphinidin 3,5-di-O-beta-D-glucoside delphinidin-3,5-diglucoside
metacyc.compound:CPD-7139 metacycM:CPD-7139	delphinidin 3,5-di-O-beta-D-glucoside delphinidin-3,5-diglucoside
CHEBI:55455 chebi:55455	delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside Delphin Delphinidin 3,5-diglucoside
hmdb:HMDB30693 keggC:M_C16312 seedM:M_cpd15028	secondary/obsolete/fantasy identifier