**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Pelargonidin 3-glucoside 5-caffeoylglucoside

Properties Image with InChI numbering Occurences in reactions MNX_ID MNXM1372133 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C36H37O18 charge 1 mass 757.674 reference chebi:80477 InChIKey XVAALFVCJHPAIQ-AQAMAIGXSA-O InChI InChI=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 SMILES O=C(/C=C/C1=CC(O)=C(O)C=C1)OC[C@H]1O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C4=CC=C(O)C=C4)=[O+]C3=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:80477 chebi:80477 kegg.compound:C16371 keggC:C16371 vmhM:pgdn3gcg vmhM:pgdn3gcg vmhmetabolite:pgdn3gcg vmhmetabolite:pgdn3gcg	Pelargonidin 3-glucoside 5-caffeoylglucoside
metacyc.compound:CPD-7150 metacycM:CPD-7150	pelargonidin-3,5-diglucoside-5-O-caffeoylglucoside
keggC:M_C16371 vmhM:M_pgdn3gcg	secondary/obsolete/fantasy identifier