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delphinidin 3-O-rutinoside-7-O-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106809

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₃H₄₁O₂₁

charge

mass

773.21348

reference

chebi:145693

InChIKey

RNPFWTUNILZAAJ-GNQVHQKOSA-O

InChI

InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-13(35)4-11(50-32-28(46)25(43)22(40)18(7-34)53-32)5-16(12)51-30(17)10-2-14(36)21(39)15(37)3-10/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19+,20-,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)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4[o+]c3-c3cc(O)c(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:145693 chebi:145693	delphinidin 3-O-rutinoside-7-O-beta-D-glucoside 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-7-yl beta-D-glucopyranoside 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-7-yl beta-D-glucopyranoside delphinidin 3-O-rutinoside-7-O-beta-D-glucopyranoside delphinidin 3-O-rutinoside-7-O-glucoside
CHEBI:145695 chebi:145695	delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-5-olate 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate
metacyc.compound:CPD-16558 metacycM:CPD-16558	delphinidin 3-O-rutinoside-7-O-glucoside bisdeacylplatyconin