compound 0108307

Properties Image MNX_ID MNXM1195438 reference envipathM:...de0ff667e5c8 formula C12H19N2O9 global charge -1 mol weight 335.289 InChIKey KHKNQFXYKZIPAU-UHFFFAOYSA-M InChI InChI=1S/C12H20N2O9/c1-12(23,10(20)9(19)11(21)22)6-13-7(17)4-14(2-3-15)8(18)5-16/h3,8,10,16,18,20,23H,2,4-6H2,1H3,(H,13,17)(H,21,22)/p-1 SMILES CC(O)(C/N=C(\O)CN(CC=O)C(O)CO)C(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O9/c1-12(23,10(20)9(19)11(21)22)6-13-7(17)4-14(2-3-15)8(18)5-16/h3,8,10,16,18,20,23H,2,4-6H2,1H3,(H,13,17)(H,21,22)/t8?,10?,12? SMILES (mnx) [CH3:1][C:12]([CH2:6][N:13]=[C:7]([CH2:4][N:14]([CH2:2][CH:3]=[O:15])[CH:8]([CH2:5][OH:16])[OH:18])[OH:17])([CH:10]([C:9]([C:11]([OH:21])=[O:22])=[O:19])[OH:20])[OH:23]

Parent-child relations graph

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