compound 0108783

Properties Image MNX_ID MNXM1190834 reference envipathM:...2fbd9230fe2c formula C12H14N2O8 global charge -2 mol weight 314.25 InChIKey SJAQOWOTNMNAME-ZZXKWVIFSA-L InChI InChI=1S/C12H16N2O8/c1-6(10(19)11(20)12(21)22)3-13-8(16)4-14(7(2)15)5-9(17)18/h3,7,15H,4-5H2,1-2H3,(H,13,16)(H,17,18)(H,21,22)/p-2/b6-3+ SMILES C/C(=C\N=C(/O)CN(CC(=O)[O-])C(C)O)C(=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H16N2O8/c1-6(10(19)11(20)12(21)22)3-13-8(16)4-14(7(2)15)5-9(17)18/h3,7,15H,4-5H2,1-2H3,(H,13,16)(H,17,18)(H,21,22)/b6-3+/t7? SMILES (mnx) [CH3:1]/[C:6](=[CH:3]\[N:13]=[C:8](\[CH2:4][N:14]([CH2:5][C:9](=[O:17])[OH:18])[CH:7]([CH3:2])[OH:15])[OH:16])[C:10]([C:11]([C:12](=[O:21])[OH:22])=[O:20])=[O:19]

Parent-child relations graph

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