Methoxybrassitin

Properties Image MNX_ID MNXM127878 reference chebi:179406 formula C12H14N2O2S global charge 0 mol weight 250.323 InChIKey BHXCFNZULGNWRA-UHFFFAOYSA-N InChI InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15) SMILES CON1C=C(CNC(=O)SC)C2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15) SMILES (mnx) [CH3:1][O:16][N:14]1[CH:8]=[C:9]([CH2:7][N:13]=[C:12]([OH:15])[S:17][CH3:2])[C:10]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:11]21

Parent-child relations graph

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