compound 0226436

Properties Image MNX_ID MNXM1173628 reference envipathM:...541c60242779 formula C12H10N2O7 global charge -2 mol weight 294.219 InChIKey QFIXZZSRPPMBAV-VXRLVEDCSA-L InChI InChI=1S/C12H12N2O7/c1-5(15)13-4-8(16)7-3-14-10(11(19)12(20)21)6(7)2-9(17)18/h2-3,14,19H,4H2,1H3,(H,13,15)(H,17,18)(H,20,21)/p-2/b6-2-,11-10- SMILES CC(=O)NCC(=O)C1=CNC(=C(\O)C(=O)[O-])/C1=C\C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H12N2O7/c1-5(15)13-4-8(16)7-3-14-10(11(19)12(20)21)6(7)2-9(17)18/h2-3,14,19H,4H2,1H3,(H,13,15)(H,17,18)(H,20,21)/b6-2-,11-10- SMILES (mnx) [CH3:1][C:5](=[N:13][CH2:4][C:8]([C:7]1=[CH:3][NH:14][C:10](=[C:11](/[C:12](=[O:20])[OH:21])[OH:19])/[C:6]1=[CH:2]\[C:9](=[O:17])[OH:18])=[O:16])[OH:15]

Parent-child relations graph

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