Cyanidin 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside)

Properties Image Occurences in reactions MNX_ID MNXM24000 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C39H39O22 charge 1 mass 859.19275 reference lipidmapsM:LMPK12010163 InChIKey GETJVNWBYXAIFC-JZTVACDPSA-O InChI InChI=1S/C39H38O22/c40-17-9-23-18(24(10-17)58-38-35(53)33(51)32(50)27(60-38)14-56-30(48)12-28(45)46)11-25(37(57-23)16-3-5-20(42)22(44)8-16)59-39-36(54)34(52)31(49)26(61-39)13-55-29(47)6-2-15-1-4-19(41)21(43)7-15/h1-11,26-27,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,47)/p+1/t26?,27?,31-,32-,33+,34?,35?,36?,38-,39-/m1/s1 SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)C(O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph