compound 0227189

Properties Image MNX_ID MNXM1175814 reference envipathM:...007814917783 formula C10H10N2O7 global charge -2 mol weight 270.197 InChIKey XRIHAGCPAZTYQO-KTAJNNJTSA-L InChI InChI=1S/C10H12N2O7/c11-2-6(13)4-3-12-10(19,8(16)9(17)18)5(4)1-7(14)15/h1,3,6,12-13,19H,2,11H2,(H,14,15)(H,17,18)/p-2/b5-1- SMILES NCC(O)C1=CNC(O)(C(=O)C(=O)[O-])/C1=C\C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H12N2O7/c11-2-6(13)4-3-12-10(19,8(16)9(17)18)5(4)1-7(14)15/h1,3,6,12-13,19H,2,11H2,(H,14,15)(H,17,18)/b5-1-/t6?,10? SMILES (mnx) [CH:1](=[C:5]1/[C:4]([CH:6]([CH2:2][NH2:11])[OH:13])=[CH:3][NH:12][C:10]1([C:8]([C:9]([OH:17])=[O:18])=[O:16])[OH:19])\[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