Isoschaftoside 2'''-ferulate

Properties Image Occurences in reactions MNX_ID MNXM58296 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C36H36O17 charge 0 mass 740.19525 reference lipidmapsM:LMPK12110256 InChIKey MBGNCPLGMURTMM-DOQANHJGSA-N InChI InChI=1S/C36H36O17/c1-49-21-10-14(2-8-17(21)39)3-9-23(42)53-36-32(48)28(44)22(12-37)52-35(36)26-30(46)25(34-31(47)27(43)19(41)13-50-34)29(45)24-18(40)11-20(51-33(24)26)15-4-6-16(38)7-5-15/h2-11,19,22,27-28,31-32,34-39,41,43-48H,12-13H2,1H3/b9-3+/t19-,22?,27-,28+,31?,32-,34-,35-,36?/m0/s1 SMILES COc1cc(/C=C/C(=O)OC2[C@H](c3c(O)c([C@@H]4OC[C@H](O)[C@H](O)C4O)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)OC(CO)[C@@H](O)[C@@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph