Cyanidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside

Properties Image Occurences in reactions MNX_ID MNXM29153 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C42H47O24 charge 1 mass 935.24518 reference lipidmapsM:LMPK12010166 InChIKey QJCCYVIQLKHDMG-FHILFNMASA-O InChI InChI=1S/C42H46O24/c43-12-26-30(50)33(53)36(56)40(64-26)61-23-10-17(45)9-22-18(23)11-25(39(60-22)16-3-5-19(46)21(48)8-16)63-42-38(58)35(55)32(52)28(66-42)14-59-29(49)6-2-15-1-4-20(47)24(7-15)62-41-37(57)34(54)31(51)27(13-44)65-41/h1-11,26-28,30-38,40-44,50-58H,12-14H2,(H3-,45,46,47,48,49)/p+1/t26?,27?,28?,30-,31-,32-,33+,34+,35?,36?,37?,38?,40-,41-,42-/m1/s1 SMILES O=C(/C=C/c1ccc(O)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph