4-sinapoyloxybutylglucosinolate

Properties Image Occurences in reactions MNX_ID MNXM14795 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C22H30NO14S2 charge -1 mass 596.11132 reference metacycM:CPD-12422 InChIKey QLYVNSUTQJZDJB-YRFKUPOZSA-M InChI InChI=1S/C22H31NO14S2/c1-33-13-9-12(10-14(34-2)18(13)26)6-7-17(25)35-8-4-3-5-16(23-37-39(30,31)32)38-22-21(29)20(28)19(27)15(11-24)36-22/h6-7,9-10,15,19-22,24,26-29H,3-5,8,11H2,1-2H3,(H,30,31,32)/p-1/b7-6+,23-16+/t15-,19-,20+,21-,22+/m1/s1 SMILES COc1cc(/C=C/C(=O)OCCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph