benzylglucosinolate aglycone

Properties Image MNX_ID MNXM1370819 reference seedM:cpd23692 formula C8H7NO4S2 global charge -2 mol weight 245.281 InChIKey ZHNLQUSUYXSVEQ-UHFFFAOYSA-L InChI InChI=1S/C8H9NO4S2/c10-15(11,12)13-9-8(14)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11,12,14)/p-2 SMILES O=S(=O)([O-])O[N-]C(=S)CC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C8H9NO4S2/c10-15(11,12)13-9-8(14)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11,12,14) SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:7]([CH2:6][C:8]([N-:9][O:13][S:15](=[OH+:10])([OH:11])=[O:12])=[S:14])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0