Peonidin 3-ferulyldiglucoside-5-glucoside

Properties Image Occurences in reactions MNX_ID MNXM28961 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C44H51O24 charge 1 mass 963.27648 reference lipidmapsM:LMPK12010254 InChIKey YJBRZIKOXLESQY-SNDVBUGKSA-O InChI InChI=1S/C44H50O24/c1-59-25-9-17(3-6-21(25)48)4-8-31(50)61-16-30-34(53)37(56)41(68-43-39(58)36(55)33(52)29(15-46)66-43)44(67-30)64-27-13-20-23(62-40(27)18-5-7-22(49)26(10-18)60-2)11-19(47)12-24(20)63-42-38(57)35(54)32(51)28(14-45)65-42/h3-13,28-30,32-39,41-46,51-58H,14-16H2,1-2H3,(H2-,47,48,49,50)/p+1/t28?,29?,30?,32-,33-,34-,35+,36?,37?,38?,39-,41?,42-,43+,44-/m1/s1 SMILES COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(OC)c3)C(O[C@@H]3OC(CO)[C@@H](O)C(O)[C@H]3O)C(O)[C@@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph