8-(methylsulfanyl)octyl-desulfoglucosinolate

Properties Image Occurences in reactions MNX_ID MNXM10454 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C16H31NO6S2 charge 0 mass 397.15928 reference metacycM:CPDQT-419 InChIKey JXHZTRXZIXRIDX-STPBKMPXSA-N InChI InChI=1S/C16H31NO6S2/c1-24-9-7-5-3-2-4-6-8-12(17-22)25-16-15(21)14(20)13(19)11(10-18)23-16/h11,13-16,18-22H,2-10H2,1H3/b17-12+/t11-,13-,14+,15-,16+/m1/s1 SMILES CSCCCCCCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph