compound 0108920

Properties Image MNX_ID MNXM1191201 reference envipathM:...0d89181c57c2 formula C13H20N2O8 global charge -2 mol weight 332.309 InChIKey DIMGSHJQUOODSQ-UHFFFAOYSA-L InChI InChI=1S/C13H22N2O8/c1-6(12(21)13(22)23)11(7(2)16)14-9(18)4-15(8(3)17)5-10(19)20/h6-8,11,16-17H,4-5H2,1-3H3,(H,14,18)(H,19,20)(H,22,23)/p-2 SMILES CC(O)C(/N=C(\O)CN(CC(=O)[O-])C(C)O)C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O8/c1-6(12(21)13(22)23)11(7(2)16)14-9(18)4-15(8(3)17)5-10(19)20/h6-8,11,16-17H,4-5H2,1-3H3,(H,14,18)(H,19,20)(H,22,23)/t6?,7?,8?,11? SMILES (mnx) [CH3:1][CH:6]([CH:11]([CH:7]([CH3:2])[OH:16])[N:14]=[C:9]([CH2:4][N:15]([CH2:5][C:10](=[O:19])[OH:20])[CH:8]([CH3:3])[OH:17])[OH:18])[C:12]([C:13]([OH:22])=[O:23])=[O:21]

Parent-child relations graph

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