Delphinidin 3-[2-(6-feruloylglucoside)-6-p-coumaroylglucoside]-5-(6-malonylglucoside)

Properties Image Occurences in reactions MNX_ID MNXM27230 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C55H57O30 charge 1 mass 1197.29292 reference lipidmapsM:LMPK12010317 InChIKey GTFFIZJORYFPKL-OTRAWRQASA-O InChI InChI=1S/C55H56O30/c1-75-33-12-23(4-9-28(33)58)6-11-40(64)76-19-35-43(67)47(71)50(74)54(83-35)85-52-48(72)45(69)37(20-77-39(63)10-5-22-2-7-25(56)8-3-22)84-55(52)81-34-17-27-31(79-51(34)24-13-29(59)42(66)30(60)14-24)15-26(57)16-32(27)80-53-49(73)46(70)44(68)36(82-53)21-78-41(65)18-38(61)62/h2-17,35-37,43-50,52-55,67-74H,18-21H2,1H3,(H6-,56,57,58,59,60,61,62,63,64,66)/p+1/t35?,36?,37?,43-,44-,45-,46+,47+,48+,49?,50?,52?,53-,54+,55-/m1/s1 SMILES COc1cc(/C=C/C(=O)OCC2O[C@@H](OC3[C@H](Oc4cc5c(O[C@@H]6OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C6O)cc(O)cc5[o+]c4-c4cc(O)c(O)c(O)c4)OC(COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]3O)C(O)[C@@H](O)[C@@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph