compound 0226437

Properties Image MNX_ID MNXM1176195 reference envipathM:...852c4f18a1a1 formula C12H14N2O7 global charge -2 mol weight 298.251 InChIKey DFXQDGYMDLKZPO-UHFFFAOYSA-L InChI InChI=1S/C12H16N2O7/c1-6(15)13-3-2-7-5-14-10(9(18)11(19)20)12(7,21)4-8(16)17/h5,10,14,21H,2-4H2,1H3,(H,13,15)(H,16,17)(H,19,20)/p-2 SMILES CC(=O)NCCC1=CNC(C(=O)C(=O)[O-])C1(O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H16N2O7/c1-6(15)13-3-2-7-5-14-10(9(18)11(19)20)12(7,21)4-8(16)17/h5,10,14,21H,2-4H2,1H3,(H,13,15)(H,16,17)(H,19,20)/t10?,12? SMILES (mnx) [CH3:1][C:6](=[N:13][CH2:3][CH2:2][C:7]1=[CH:5][NH:14][CH:10]([C:9]([C:11]([OH:19])=[O:20])=[O:18])[C:12]1([CH2:4][C:8](=[O:16])[OH:17])[OH:21])[OH:15]

Parent-child relations graph

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