compound 0109355

Properties Image MNX_ID MNXM1188981 reference envipathM:...88c4b4dbd070 formula C12H18N2O8 global charge -2 mol weight 318.282 InChIKey UCVPJUXEWKAOLE-WLRTZDKTSA-L InChI InChI=1S/C12H20N2O8/c1-7(10(19)11(20)12(21)22)4-13-5-8(16)14(2-3-15)6-9(17)18/h5,7-8,10,15-16,19H,2-4,6H2,1H3,(H,17,18)(H,21,22)/p-2/b13-5+ SMILES CC(C/N=C/C(O)N(CCO)CC(=O)[O-])C(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O8/c1-7(10(19)11(20)12(21)22)4-13-5-8(16)14(2-3-15)6-9(17)18/h5,7-8,10,15-16,19H,2-4,6H2,1H3,(H,17,18)(H,21,22)/b13-5+/t7?,8?,10? SMILES (mnx) [CH3:1][CH:7]([CH2:4]/[N:13]=[CH:5]/[CH:8]([N:14]([CH2:2][CH2:3][OH:15])[CH2:6][C:9](=[O:17])[OH:18])[OH:16])[CH:10]([C:11]([C:12]([OH:21])=[O:22])=[O:20])[OH:19]

Parent-child relations graph

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