compound 0108084

Properties Image MNX_ID MNXM1194723 reference envipathM:...bed13e3aa64f formula C12H18N2O7 global charge -2 mol weight 302.283 InChIKey OBMXVKXRJMUYIF-WLRTZDKTSA-L InChI InChI=1S/C12H20N2O7/c1-7(3-9(16)12(20)21)4-13-5-10(17)14(8(2)15)6-11(18)19/h5,7-8,10,15,17H,3-4,6H2,1-2H3,(H,18,19)(H,20,21)/p-2/b13-5+ SMILES CC(C/N=C/C(O)N(CC(=O)[O-])C(C)O)CC(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O7/c1-7(3-9(16)12(20)21)4-13-5-10(17)14(8(2)15)6-11(18)19/h5,7-8,10,15,17H,3-4,6H2,1-2H3,(H,18,19)(H,20,21)/b13-5+/t7?,8?,10? SMILES (mnx) [CH3:1][CH:7]([CH2:3][C:9]([C:12]([OH:20])=[O:21])=[O:16])[CH2:4]/[N:13]=[CH:5]/[CH:10]([N:14]([CH2:6][C:11](=[O:18])[OH:19])[CH:8]([CH3:2])[OH:15])[OH:17]

Parent-child relations graph

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