compound 0053385

Properties Image MNX_ID MNXM1187619 reference envipathM:...89d33158a6e1 formula C14H8Cl2NO6 global charge -3 mol weight 357.125 InChIKey MNMDJGRWSDBCCP-IMMCJTHBSA-K InChI InChI=1S/C14H11Cl2NO6/c15-8(6-11(20)21)13(12(16)14(22)23)17-9-4-2-1-3-7(9)5-10(18)19/h1-4,6,17H,5H2,(H,18,19)(H,20,21)(H,22,23)/p-3/b8-6+,13-12- SMILES O=C([O-])/C=C(Cl)\C(NC1=C(CC(=O)[O-])C=CC=C1)=C(\Cl)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H11Cl2NO6/c15-8(6-11(20)21)13(12(16)14(22)23)17-9-4-2-1-3-7(9)5-10(18)19/h1-4,6,17H,5H2,(H,18,19)(H,20,21)(H,22,23)/b8-6+,13-12- SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]([NH:17][C:13](/[C:8](=[CH:6]\[C:11](=[O:20])[OH:21])[Cl:15])=[C:12](/[C:14](=[O:22])[OH:23])[Cl:16])[C:7]([CH2:5][C:10](=[O:18])[OH:19])=[CH:3]1

Parent-child relations graph

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