compound 0107723

Properties Image MNX_ID MNXM1188233 reference envipathM:...fd7381c42196 formula C12H13N2O9 global charge -3 mol weight 329.241 InChIKey RXRPUUDEVBZGMC-DAXSKMNVSA-K InChI InChI=1S/C12H16N2O9/c15-2-1-14(6-10(18)19)5-9(17)13-4-7(11(20)21)3-8(16)12(22)23/h4,15H,1-3,5-6H2,(H,13,17)(H,18,19)(H,20,21)(H,22,23)/p-3/b7-4- SMILES O=C([O-])CN(CCO)C/C(O)=N/C=C(/CC(=O)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H16N2O9/c15-2-1-14(6-10(18)19)5-9(17)13-4-7(11(20)21)3-8(16)12(22)23/h4,15H,1-3,5-6H2,(H,13,17)(H,18,19)(H,20,21)(H,22,23)/b7-4- SMILES (mnx) [CH2:1]([CH2:2][OH:15])[N:14]([CH2:5]/[C:9](=[N:13]/[CH:4]=[C:7](/[CH2:3][C:8]([C:12]([OH:22])=[O:23])=[O:16])[C:11](=[O:20])[OH:21])[OH:17])[CH2:6][C:10](=[O:18])[OH:19]

Parent-child relations graph

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