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Pelargonidin 3-glucoside 5-caffeoylglucoside

MNXM93764 is deprecated and here replaced by MNXM727596
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM727596Image of MNXM727596
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC36H37O18
charge1
mass757.19744
referencechebi:80477
InChIKeyXVAALFVCJHPAIQ-AQAMAIGXSA-O
InChIInChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd15087
seedM:cpd15087
CHEBI:80477
chebi:80477
kegg.compound:C16371
keggC:C16371 		Pelargonidin 3-glucoside 5-caffeoylglucoside
metacyc.compound:CPD-7150
metacycM:CPD-7150 		pelargonidin-3,5-diglucoside-5-O-caffeoylglucoside
keggC:M_C16371
seedM:M_cpd15087 		secondary/obsolete/fantasy identifier