compound 0226293

Properties Image MNX_ID MNXM1181522 reference envipathM:...179ea2824756 formula C12H14N2O6 global charge -2 mol weight 282.252 InChIKey VIDUXOVMVVPVQK-YCRREMRBSA-L InChI InChI=1S/C12H16N2O6/c1-6(15)13-5-10(16)8-4-14-9(3-12(19)20)7(8)2-11(17)18/h3-4,7,10,14,16H,2,5H2,1H3,(H,13,15)(H,17,18)(H,19,20)/p-2/b9-3+ SMILES CC(=O)NCC(O)C1=CN/C(=C/C(=O)[O-])C1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H16N2O6/c1-6(15)13-5-10(16)8-4-14-9(3-12(19)20)7(8)2-11(17)18/h3-4,7,10,14,16H,2,5H2,1H3,(H,13,15)(H,17,18)(H,19,20)/b9-3+/t7?,10? SMILES (mnx) [CH3:1][C:6](=[N:13][CH2:5][CH:10]([C:8]1=[CH:4][NH:14]/[C:9](=[CH:3]/[C:12](=[O:19])[OH:20])[CH:7]1[CH2:2][C:11](=[O:17])[OH:18])[OH:16])[OH:15]

Parent-child relations graph

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