compound 0102747

Properties Image MNX_ID MNXM1180537 reference envipathM:...b4035dd09d95 formula C12H19N2O6 global charge -1 mol weight 287.292 InChIKey QKPAOFSOWGCIAW-MDWZMJQESA-M InChI InChI=1S/C12H20N2O6/c1-9(6-10(17)12(19)20)7-13-8-11(18)14(2-4-15)3-5-16/h4,8-9,11,16,18H,2-3,5-7H2,1H3,(H,19,20)/p-1/b13-8+ SMILES CC(C/N=C/C(O)N(CC=O)CCO)CC(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O6/c1-9(6-10(17)12(19)20)7-13-8-11(18)14(2-4-15)3-5-16/h4,8-9,11,16,18H,2-3,5-7H2,1H3,(H,19,20)/b13-8+/t9?,11? SMILES (mnx) [CH3:1][CH:9]([CH2:6][C:10]([C:12]([OH:19])=[O:20])=[O:17])[CH2:7]/[N:13]=[CH:8]/[CH:11]([N:14]([CH2:2][CH:4]=[O:15])[CH2:3][CH2:5][OH:16])[OH:18]

Parent-child relations graph

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