compound 0229502

Properties Image MNX_ID MNXM1182319 reference envipathM:...4b2dfae3663a formula C9H10N2O5 global charge -2 mol weight 226.188 InChIKey WSAAVCDDZIBRMB-DJWKRKHSSA-L InChI InChI=1S/C9H12N2O5/c10-6(12)1-4-3-11-8(9(15)16)5(4)2-7(13)14/h2-3,6,8,11-12H,1,10H2,(H,13,14)(H,15,16)/p-2/b5-2- SMILES NC(O)CC1=CNC(C(=O)[O-])/C1=C\C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H12N2O5/c10-6(12)1-4-3-11-8(9(15)16)5(4)2-7(13)14/h2-3,6,8,11-12H,1,10H2,(H,13,14)(H,15,16)/b5-2-/t6?,8? SMILES (mnx) [CH2:1]([C:4]1=[CH:3][NH:11][CH:8]([C:9](=[O:15])[OH:16])/[C:5]1=[CH:2]\[C:7](=[O:13])[OH:14])[CH:6]([NH2:10])[OH:12]

Parent-child relations graph

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