compound 0107793

Properties Image MNX_ID MNXM1198565 reference envipathM:...83e9616af57e formula C8H9NO5 global charge -2 mol weight 199.162 InChIKey IBBXZSFERDEZOX-YCRREMRBSA-L InChI InChI=1S/C8H11NO5/c1-4(7(12)8(13)14)5(2)9-3-6(10)11/h3-5H,1-2H3,(H,10,11)(H,13,14)/p-2/b9-3+ SMILES CC(/N=C/C(=O)[O-])C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H11NO5/c1-4(7(12)8(13)14)5(2)9-3-6(10)11/h3-5H,1-2H3,(H,10,11)(H,13,14)/b9-3+/t4?,5? SMILES (mnx) [CH3:1][CH:4]([CH:5]([CH3:2])/[N:9]=[CH:3]/[C:6](=[O:10])[OH:11])[C:7]([C:8]([OH:13])=[O:14])=[O:12]

Parent-child relations graph

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