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

Properties Image Occurences in reactions MNX_ID MNXM24908 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C56H59O31 charge 1 mass 1227.30348 reference lipidmapsM:LMPK12010318 InChIKey LLPGJSHOOSZIFB-JZKLOJLZSA-O InChI InChI=1S/C56H58O31/c1-76-33-11-22(3-7-27(33)58)5-9-40(64)78-19-36-44(68)48(72)51(75)55(85-36)87-53-49(73)46(70)38(20-79-41(65)10-6-23-4-8-28(59)34(12-23)77-2)86-56(53)83-35-17-26-31(81-52(35)24-13-29(60)43(67)30(61)14-24)15-25(57)16-32(26)82-54-50(74)47(71)45(69)37(84-54)21-80-42(66)18-39(62)63/h3-17,36-38,44-51,53-56,68-75H,18-21H2,1-2H3,(H6-,57,58,59,60,61,62,63,64,65,67)/p+1/t36?,37?,38?,44-,45-,46-,47+,48+,49+,50?,51?,53?,54-,55+,56-/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)c(OC)c4)[C@@H](O)[C@@H]3O)C(O)[C@@H](O)[C@@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph