compound 0226475

Properties Image MNX_ID MNXM1138360 reference envipathM:...8cca6500ce1e formula C13H12N2O8 global charge -2 mol weight 324.245 InChIKey PDXBKDRAGLSBST-FPYGCLRLSA-L InChI InChI=1S/C13H14N2O8/c1-5(16)14-4-7(17)9-6(3-8(23-2)12(19)20)10(13(21)22)15-11(9)18/h3,15,18H,4H2,1-2H3,(H,14,16)(H,19,20)(H,21,22)/p-2/b8-3+ SMILES CO/C(=C/C1=C(C(=O)[O-])NC(O)=C1C(=O)CNC(C)=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H14N2O8/c1-5(16)14-4-7(17)9-6(3-8(23-2)12(19)20)10(13(21)22)15-11(9)18/h3,15,18H,4H2,1-2H3,(H,14,16)(H,19,20)(H,21,22)/b8-3+ SMILES (mnx) [CH3:1][C:5](=[N:14][CH2:4][C:7]([C:9]1=[C:11]([OH:18])[NH:15][C:10]([C:13]([OH:21])=[O:22])=[C:6]1/[CH:3]=[C:8](\[C:12](=[O:19])[OH:20])[O:23][CH3:2])=[O:17])[OH:16]

Parent-child relations graph

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