compound 0106541

Properties Image MNX_ID MNXM1195461 reference envipathM:...9a435a7ed334 formula C13H18N2O8 global charge -2 mol weight 330.293 InChIKey HBUHUCSDNCQQMX-UHFFFAOYSA-L InChI InChI=1S/C13H20N2O8/c1-3-13(23,9(11(19)20)10(18)12(21)22)14-8(17)7-15(4-2)5-6-16/h6,9,23H,3-5,7H2,1-2H3,(H,14,17)(H,19,20)(H,21,22)/p-2 SMILES CCN(CC=O)C/C(O)=N/C(O)(CC)C(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H20N2O8/c1-3-13(23,9(11(19)20)10(18)12(21)22)14-8(17)7-15(4-2)5-6-16/h6,9,23H,3-5,7H2,1-2H3,(H,14,17)(H,19,20)(H,21,22)/t9?,13? SMILES (mnx) [CH3:1][CH2:3][C:13]([CH:9]([C:10]([C:12]([OH:21])=[O:22])=[O:18])[C:11](=[O:19])[OH:20])([N:14]=[C:8]([CH2:7][N:15]([CH2:4][CH3:2])[CH2:5][CH:6]=[O:16])[OH:17])[OH:23]

Parent-child relations graph

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