1-hydroxyglucobrassicin

Properties Image Occurences in reactions MNX_ID MNXM164039 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0 formula C16H19N2O10S2 charge -1 mass 463.04866 reference metacycM:CPD-19470 InChIKey WKXRXDCADOCIEN-STPBKMPXSA-M InChI InChI=1S/C16H20N2O10S2/c19-7-11-13(20)14(21)15(22)16(27-11)29-12(17-28-30(24,25)26)5-8-6-18(23)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-23H,5,7H2,(H,24,25,26)/p-1/b17-12+/t11-,13-,14+,15-,16+/m1/s1 SMILES O=S(=O)([O-])O/N=C(\Cc1cn(O)c2ccccc12)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph