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

Properties

Image

Occurences in reactions

MNX_ID

MNXM7212

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

formula

C₃₃H₄₀O₂₀

charge

mass

756.21129

reference

chebi:57830

InChIKey

DFJZNAHUOVEDQB-HWKLKBEVSA-N

InChI

InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc([O-])cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[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:57830 chebi:57830	cyanidin 3-O-rutinoside 5-O-beta-D-glucoside 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-[(2,4-dideoxy-2,4-dimethyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)chromenium-7-olate cyanidin 3-O-rutinoside 5-O-beta-D-glucoside betaine
kegg.compound:C12646 keggC:C12646	Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside Cyanidin 3-rutinoside 5-glucoside
seed.compound:cpd09277 seedM:cpd09277	Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside Cyanidin 3-rutinoside 5-glucoside a cyanidin-3-O-rutinoside-5-O-beta-D-glucoside cyanidin 3-rutinoside-5-glucoside cyanidin-3-O-rutinoside-5-O-beta-D-glucoside
seed.compound:cpd26759 seedM:cpd26759	Cyanidin-rutinoside-glucosides
CHEBI:16596 chebi:16596	cyanidin 3-O-rutinoside 5-O-beta-D-glucoside 3-[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside 3-[6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
metacyc.compound:CPD-15002 metacycM:CPD-15002	cyanidin-3-O-rutinoside-5-O-beta-D-glucoside a cyanidin-3-O-rutinoside-5-O-beta-D-glucoside cyanidin 3-rutinoside-5-glucoside
chebi:14040 chebi:23432 chebi:31443 chebi:3977 keggC:M_C12646 seedM:M_cpd09277 seedM:M_cpd26759	secondary/obsolete/fantasy identifier