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Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside

Properties Image Occurences in reactions MNX_ID MNXM1365727 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C42H47O23 charge 1 mass 919.815 reference chebi:80430 InChIKey YLRJRFOZRJMCAN-HELXGBBCSA-O InChI InChI=1S/C42H46O23/c1-15-38(65-28(48)7-4-16-2-5-18(44)6-3-16)34(54)37(57)40(59-15)58-14-27-31(51)33(53)36(56)42(64-27)62-25-12-20-23(60-39(25)17-8-21(46)29(49)22(47)9-17)10-19(45)11-24(20)61-41-35(55)32(52)30(50)26(13-43)63-41/h2-12,15,26-27,30-38,40-43,50-57H,13-14H2,1H3,(H4-,44,45,46,47,48,49)/p+1/t15-,26+,27+,30+,31+,32-,33-,34-,35+,36+,37+,38-,40+,41+,42+/m0/s1 SMILES [CH3:1][C@H:15]1[C@H:38]([O:65][C:28]([CH:7]=[CH:4][c:16]2[cH:2][cH:5][c:18]([OH:44])[cH:6][cH:3]2)=[O:48])[C@@H:34]([OH:54])[C@@H:37]([OH:57])[C@H:40]([O:58][CH2:14][C@@H:27]2[C@@H:31]([OH:51])[C@H:33]([OH:53])[C@@H:36]([OH:56])[C@H:42]([O:62][c:25]3[cH:12][c:20]4[c:23]([cH:10][c:19]([OH:45])[cH:11][c:24]4[O:61][C@H:41]4[C@H:35]([OH:55])[C@@H:32]([OH:52])[C@H:30]([OH:50])[C@@H:26]([CH2:13][OH:43])[O:63]4)[o+:60][c:39]3-[c:17]3[cH:8][c:21]([OH:46])[c:29]([O-:49])[c:22]([OH:47])[cH:9]3)[O:64]2)[O:59]1

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:80430 chebi:80430 kegg.compound:C16294 keggC:C16294	Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
hmdb:HMDB0301991	Delphinidin 3-[6-(4-(Z)-p-coumarylrhamnosyl)glucoside] 5-glucoside 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda⁴-chromen-1-ylium
lipidmaps:LMPK12010304 lipidmapsM:LMPK12010304	Violanin
keggC:M_C16294	secondary/obsolete/fantasy identifier