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

Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)

Properties Image Occurences in reactions MNX_ID MNXM1366410 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C36H37O18 charge 1 mass 757.674 reference chebi:80467 InChIKey NHTJKRAGLGHCLR-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)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/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 [cH:1]1[cH:5][c:17]([OH:38])[cH:6][cH:2][c:15]1[CH:3]=[CH:8][C:27](=[O:42])[O:49][CH2:14][C@@H:26]1[C@@H:29]([OH:44])[C@H:31]([OH:46])[C@@H:33]([OH:48])[C@H:35]([O:51][c:23]2[cH:11][c:18]([OH:39])[cH:10][c:22]3[c:19]2[cH:12][c:24]([O:52][C@H:36]2[C@H:32]([OH:47])[C@@H:30]([OH:45])[C@H:28]([OH:43])[C@@H:25]([CH2:13][OH:37])[O:53]2)[c:34](-[c:16]2[cH:4][cH:7][c:20]([OH:40])[c:21]([O-:41])[cH:9]2)[o+:50]3)[O:54]1

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:80467 chebi:80467 kegg.compound:C16350 keggC:C16350 vmhM:M00080 vmhmetabolite:M00080	Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
lipidmaps:LMPK12010158 lipidmapsM:LMPK12010158	Gentiocyanin C Cyanidin 3-glucoside-5-(6-p-coumaroylglucoside)
keggC:M_C16350	secondary/obsolete/fantasy identifier