compound 0104396

Properties Image MNX_ID MNXM1173554 reference envipathM:...7150502b775b formula C11H12N2O7 global charge -2 mol weight 284.224 InChIKey ZMTGALKZMLIJIO-UTCJRWHESA-L InChI InChI=1S/C11H14N2O7/c1-2-12-5-7(15)13-6(3-4-14)8(10(17)18)9(16)11(19)20/h3-4,8,12H,2,5H2,1H3,(H,13,15)(H,17,18)(H,19,20)/p-2/b6-3- SMILES CCNC/C(O)=N/C(=C\C=O)C(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H14N2O7/c1-2-12-5-7(15)13-6(3-4-14)8(10(17)18)9(16)11(19)20/h3-4,8,12H,2,5H2,1H3,(H,13,15)(H,17,18)(H,19,20)/b6-3-/t8? SMILES (mnx) [CH3:1][CH2:2][NH:12][CH2:5]/[C:7](=[N:13]/[C:6](=[CH:3]\[CH:4]=[O:14])[CH:8]([C:9]([C:11]([OH:19])=[O:20])=[O:16])[C:10](=[O:17])[OH:18])[OH:15]

Parent-child relations graph

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