compound 0104723

Properties Image MNX_ID MNXM1198421 reference envipathM:...01382081e480 formula C12H21N2O6 global charge -1 mol weight 289.308 InChIKey DAQPHDRVVUFVRB-AWNIVKPZSA-M InChI InChI=1S/C12H22N2O6/c1-7(4-10(17)12(19)20)5-13-6-11(18)14(8(2)15)9(3)16/h6-9,11,15-16,18H,4-5H2,1-3H3,(H,19,20)/p-1/b13-6+ SMILES CC(C/N=C/C(O)N(C(C)O)C(C)O)CC(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H22N2O6/c1-7(4-10(17)12(19)20)5-13-6-11(18)14(8(2)15)9(3)16/h6-9,11,15-16,18H,4-5H2,1-3H3,(H,19,20)/b13-6+/t7?,8?,9?,11? SMILES (mnx) [CH3:1][CH:7]([CH2:4][C:10]([C:12]([OH:19])=[O:20])=[O:17])[CH2:5]/[N:13]=[CH:6]/[CH:11]([N:14]([CH:8]([CH3:2])[OH:15])[CH:9]([CH3:3])[OH:16])[OH:18]

Parent-child relations graph

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