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pelargonin

MNXM91262 is deprecated and here replaced by MNXM738546
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738546

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	2

formula

C₂₇H₃₁O₁₅

charge

mass

595.16575

reference

chebi:133365

InChIKey

SLCKJKWFULXZBD-ZOTFFYTFSA-O

InChI

InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

SMILES

OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[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:133365 chebi:133365	pelargonin 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl beta-D-glucopyranoside Pelargonidin 3,5-di-beta-D-glucopyranoside Pelargonidin 3,5-di-beta-D-glucoside Pelargonidin 3,5-diglucoside pelargonidin 3,5-O-diglucoside pelargonidin 3,5-di-O-beta-D-glucoside pelargonidin 3,5-di-O-beta-glucoside
seed.compound:cpd05630 seedM:cpd05630 kegg.compound:C08725 keggC:C08725	Pelargonin Pelargonidin 3,5-di-beta-D-glucoside
metacyc.compound:CPD-7137 metacycM:CPD-7137	pelargonidin-3,5-di-O-beta-D-glucoside
seed.compound:cpd24730 seedM:cpd24730	pelargonidin-3,5-diglucoside pelargonidin-3,5-di-O-beta-D-glucoside
chebi:7951 keggC:M_C08725 seedM:M_cpd05630 seedM:M_cpd24730	secondary/obsolete/fantasy identifier