compound 0106866

Properties Image MNX_ID MNXM1190882 reference envipathM:...043d9dd75e0f formula C12H18N2O7 global charge -2 mol weight 302.283 InChIKey AVUMEGCFXRMALD-NTUHNPAUSA-L InChI InChI=1S/C12H20N2O7/c1-2-14(3-4-15)10(17)7-13-6-8(11(18)19)5-9(16)12(20)21/h7-8,10,15,17H,2-6H2,1H3,(H,18,19)(H,20,21)/p-2/b13-7+ SMILES CCN(CCO)C(O)/C=N/CC(CC(=O)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20N2O7/c1-2-14(3-4-15)10(17)7-13-6-8(11(18)19)5-9(16)12(20)21/h7-8,10,15,17H,2-6H2,1H3,(H,18,19)(H,20,21)/b13-7+/t8?,10? SMILES (mnx) [CH3:1][CH2:2][N:14]([CH2:3][CH2:4][OH:15])[CH:10](/[CH:7]=[N:13]/[CH2:6][CH:8]([CH2:5][C:9]([C:12]([OH:20])=[O:21])=[O:16])[C:11](=[O:18])[OH:19])[OH:17]

Parent-child relations graph

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