compound 0226340

Properties Image MNX_ID MNXM1184055 reference envipathM:...35aebeaa8477 formula C12H14N2O6 global charge -2 mol weight 282.252 InChIKey MDFYMCHVECOMOE-YWEYNIOJSA-L InChI InChI=1S/C12H16N2O6/c1-6(15)13-3-2-7-5-14-10(11(18)12(19)20)8(7)4-9(16)17/h4,7,10,14H,2-3,5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/p-2/b8-4- SMILES CC(=O)NCCC1CNC(C(=O)C(=O)[O-])/C1=C\C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H16N2O6/c1-6(15)13-3-2-7-5-14-10(11(18)12(19)20)8(7)4-9(16)17/h4,7,10,14H,2-3,5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/b8-4-/t7?,10? SMILES (mnx) [CH3:1][C:6](=[N:13][CH2:3][CH2:2][CH:7]1[CH2:5][NH:14][CH:10]([C:11]([C:12]([OH:19])=[O:20])=[O:18])/[C:8]1=[CH:4]\[C:9](=[O:16])[OH:17])[OH:15]

Parent-child relations graph

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