compound 0104340

Properties Image MNX_ID MNXM1175252 reference envipathM:...2e45db48951a formula C11H12N2O7 global charge -2 mol weight 284.224 InChIKey FKZWPAJNUCQQJD-DAXSKMNVSA-L InChI InChI=1S/C11H14N2O7/c1-6(10(18)11(19)20)7(4-9(16)17)13-8(15)5-12-2-3-14/h3-4,6,12H,2,5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/p-2/b7-4- SMILES CC(C(=O)C(=O)[O-])C(=C/C(=O)[O-])/N=C(\O)CNCC=O MNX internals InChI (mnx) InChI=1/C11H14N2O7/c1-6(10(18)11(19)20)7(4-9(16)17)13-8(15)5-12-2-3-14/h3-4,6,12H,2,5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/b7-4-/t6? SMILES (mnx) [CH3:1][CH:6]([C:7](=[CH:4]/[C:9](=[O:16])[OH:17])/[N:13]=[C:8](/[CH2:5][NH:12][CH2:2][CH:3]=[O:14])[OH:15])[C:10]([C:11]([OH:19])=[O:20])=[O:18]

Parent-child relations graph

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