O-desmethyl Mesosulfuron acid (AE F160460)

Properties Image MNX_ID MNXM1137744 reference envipathM:...727afdcf60f9 formula C15H17N5O9S2 global charge 0 mol weight 475.461 InChIKey LURHESCBQWKARR-UHFFFAOYSA-N InChI InChI=1S/C15H17N5O9S2/c1-29-12-6-11(21)17-14(18-12)19-15(24)20-31(27,28)10-5-8(7-16-30(2,25)26)3-4-9(10)13(22)23/h3-6,16H,7H2,1-2H3,(H,22,23)(H3,17,18,19,20,21,24) SMILES COC1=CC(O)=NC(NC(=O)NS(=O)(=O)C2=CC(CNS(C)(=O)=O)=CC=C2C(=O)O)=N1 MNX internals InChI (mnx) InChI=1/C15H17N5O9S2/c1-29-12-6-11(21)17-14(18-12)19-15(24)20-31(27,28)10-5-8(7-16-30(2,25)26)3-4-9(10)13(22)23/h3-6,16H,7H2,1-2H3,(H,22,23)(H3,17,18,19,20,21,24) SMILES (mnx) [CH3:1][O:29][C:12]1=[N:18][C:14]([N:19]=[C:15]([NH:20][S:31]([C:10]2=[C:9]([C:13](=[O:22])[OH:23])[CH:4]=[CH:3][C:8]([CH2:7][NH:16][S:30]([CH3:2])(=[O:25])=[O:26])=[CH:5]2)(=[O:27])=[O:28])[OH:24])=[N:17][C:11]([OH:21])=[CH:6]1

Parent-child relations graph

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