Cyanidin 3,3'-di-glucoside-7-(6''-caffeoylglucoside)

Properties Image Occurences in reactions MNX_ID MNXM24403 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C42H47O24 charge 1 mass 935.24518 reference lipidmapsM:LMPK12010217 InChIKey YVKLONZWAFCIAE-MDBHTUDBSA-O InChI InChI=1S/C42H46O24/c43-12-26-30(50)33(53)37(57)41(64-26)62-24-8-16(3-5-20(24)46)39-25(63-42-38(58)34(54)31(51)27(13-44)65-42)11-18-21(47)9-17(10-23(18)61-39)60-40-36(56)35(55)32(52)28(66-40)14-59-29(49)6-2-15-1-4-19(45)22(48)7-15/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)c1)OCC1O[C@@H](Oc2cc(O)c3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(-c4ccc(O)c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c4)[o+]c3c2)C(O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph