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

MNXM5255 is deprecated and here replaced by MNXM737672
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM737672

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

formula

C₃₃H₄₀O₁₉

charge

mass

740.21638

reference

chebi:60001

InChIKey

YTMOEUVNNYCFEO-WYHZMSGGSA-N

InChI

InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/t11-,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)cc3)[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:60001 chebi:60001	pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-(beta-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)chromenium-7-olate 3-{[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]oxy}-5-(beta-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)chromenium-7-olate pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside betaine
kegg.compound:C12645 keggC:C12645	Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside Pelargonidin 3-rutinoside-5-glucopyranoside
CHEBI:31969 chebi:31969	pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside 5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside Pelargonidin 3-rutinoside-5-glucopyranoside
keggC:M_C12645	secondary/obsolete/fantasy identifier