dihydrocamalexic acid

Properties Image MNX_ID MNXM163356 reference chebi:47794 formula C12H10N2O2S global charge 0 mol weight 246.291 InChIKey GTTVJFCVXYCPHB-UHFFFAOYSA-N InChI InChI=1S/C12H10N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10,13H,6H2,(H,15,16) SMILES O=C(O)C1CSC(C2=CNC3=C2C=CC=C3)=N1 MNX internals InChI (mnx) InChI=1/C12H10N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10,13H,6H2,(H,15,16)/t10? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]2[C:7](=[CH:3]1)[C:8]([C:11]1=[N:14][CH:10]([C:12](=[O:15])[OH:16])[CH2:6][S:17]1)=[CH:5][NH:13]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0