compound 0228629

Properties Image MNX_ID MNXM1192034 reference envipathM:...3238a2c75aaa formula C10H10N2O7 global charge -2 mol weight 270.197 InChIKey VRRIKYLKRLVXRC-LZCJLJQNSA-L InChI InChI=1S/C10H12N2O7/c11-2-5(13)4-3-12-6(1-7(14)15)10(4,19)8(16)9(17)18/h1,3,5,12-13,19H,2,11H2,(H,14,15)(H,17,18)/p-2/b6-1+ SMILES NCC(O)C1=CN/C(=C/C(=O)[O-])C1(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H12N2O7/c11-2-5(13)4-3-12-6(1-7(14)15)10(4,19)8(16)9(17)18/h1,3,5,12-13,19H,2,11H2,(H,14,15)(H,17,18)/b6-1+/t5?,10? SMILES (mnx) [CH:1](=[C:6]1\[C:10]([C:8]([C:9]([OH:17])=[O:18])=[O:16])([OH:19])[C:4]([CH:5]([CH2:2][NH2:11])[OH:13])=[CH:3][NH:12]1)\[C:7](=[O:14])[OH:15]

Parent-child relations graph

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