compound 0055399

Properties Image MNX_ID MNXM1184229 reference envipathM:...b5e121d3704e formula C12H13N3O6S global charge 0 mol weight 327.318 InChIKey OJEIMAGUSJMOHH-UHFFFAOYSA-N InChI InChI=1S/C12H13N3O6S/c1-5-3-6(2)14-12(13-5)15-22(20,21)11-8(17)4-7(16)9(18)10(11)19/h3-4,16-19H,1-2H3,(H,13,14,15) SMILES CC1=CC(C)=NC(NS(=O)(=O)C2=C(O)C(O)=C(O)C=C2O)=N1 MNX internals InChI (mnx) InChI=1/C12H13N3O6S/c1-5-3-6(2)14-12(13-5)15-22(20,21)11-8(17)4-7(16)9(18)10(11)19/h3-4,16-19H,1-2H3,(H,13,14,15) SMILES (mnx) [CH3:1][C:5]1=[CH:3][C:6]([CH3:2])=[N:14][C:12]([NH:15][S:22]([C:11]2=[C:8]([OH:17])[CH:4]=[C:7]([OH:16])[C:9]([OH:18])=[C:10]2[OH:19])(=[O:20])=[O:21])=[N:13]1

Parent-child relations graph

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