Cyanidin 3-(4'''-caffeylrutinoside)-5-glucoside

Properties Image Occurences in reactions MNX_ID MNXM23539 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C42H47O23 charge 1 mass 919.25026 reference lipidmapsM:LMPK12010189 InChIKey ZKKZXJHFKFTOPC-QGMOHJAQSA-O InChI InChI=1S/C42H46O23/c1-15-38(65-29(49)7-3-16-2-5-20(45)22(47)8-16)34(54)37(57)40(59-15)58-14-28-31(51)33(53)36(56)42(64-28)62-26-12-19-24(60-39(26)17-4-6-21(46)23(48)9-17)10-18(44)11-25(19)61-41-35(55)32(52)30(50)27(13-43)63-41/h2-12,15,27-28,30-38,40-43,50-57H,13-14H2,1H3,(H4-,44,45,46,47,48,49)/p+1/t15?,27?,28?,30-,31-,32+,33?,34-,35?,36?,37?,38+,40-,41-,42-/m1/s1 SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph