Cyanidin 3-(6''-p-coumaryl-2''-sinapylsophoroside)-5-glucoside

Properties Image Occurences in reactions MNX_ID MNXM25416 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C53H57O27 charge 1 mass 1125.30817 reference lipidmapsM:LMPK12010184 InChIKey ONNRUPQNEBXWOW-NSYRPHSWSA-O InChI InChI=1S/C53H56O27/c1-70-32-13-23(14-33(71-2)40(32)62)6-12-39(61)79-49-45(67)42(64)36(20-55)77-53(49)80-50-46(68)43(65)37(21-72-38(60)11-5-22-3-8-25(56)9-4-22)78-52(50)75-34-18-27-30(73-48(34)24-7-10-28(58)29(59)15-24)16-26(57)17-31(27)74-51-47(69)44(66)41(63)35(19-54)76-51/h3-18,35-37,41-47,49-55,63-69H,19-21H2,1-2H3,(H4-,56,57,58,59,60,61,62)/p+1/t35?,36?,37?,41-,42-,43-,44+,45+,46?,47?,49?,50-,51-,52-,53+/m1/s1 SMILES COc1cc(/C=C/C(=O)OC2[C@H](O[C@@H]3C(O)[C@H](O)C(COC(=O)/C=C/c4ccc(O)cc4)O[C@H]3Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)OC(CO)[C@@H](O)[C@@H]2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph