compound 0081064

Properties Image MNX_ID MNXM1179943 reference envipathM:...3f8e87fa485d formula C18H14NO5 global charge -1 mol weight 324.312 InChIKey VGHAAVLHMIVKMD-XDHOZWIPSA-M InChI InChI=1S/C18H15NO5/c1-12(16(20)17(21)13-7-3-2-4-8-13)19-24-11-14-9-5-6-10-15(14)18(22)23/h2-10H,11H2,1H3,(H,22,23)/p-1/b19-12+ SMILES C/C(=N\OCC1=C(C(=O)[O-])C=CC=C1)C(=O)C(=O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C18H15NO5/c1-12(16(20)17(21)13-7-3-2-4-8-13)19-24-11-14-9-5-6-10-15(14)18(22)23/h2-10H,11H2,1H3,(H,22,23)/b19-12+ SMILES (mnx) [CH3:1]/[C:12]([C:16]([C:17]([C:13]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)=[O:21])=[O:20])=[N:19]\[O:24][CH2:11][C:14]1=[CH:9][CH:5]=[CH:6][CH:10]=[C:15]1[C:18](=[O:22])[OH:23]

Parent-child relations graph

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