compound 0100639

Properties Image MNX_ID MNXM1172167 reference envipathM:...7b39856f3e5b formula C13H21N2O6 global charge -1 mol weight 301.319 InChIKey MBCSWRRJFDGFPU-UHFFFAOYSA-M InChI InChI=1S/C13H22N2O6/c1-4-15(5-6-16)7-10(18)14-11(9(3)17)8(2)12(19)13(20)21/h6,8-9,11,17H,4-5,7H2,1-3H3,(H,14,18)(H,20,21)/p-1 SMILES CCN(CC=O)C/C(O)=N/C(C(C)O)C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O6/c1-4-15(5-6-16)7-10(18)14-11(9(3)17)8(2)12(19)13(20)21/h6,8-9,11,17H,4-5,7H2,1-3H3,(H,14,18)(H,20,21)/t8?,9?,11? SMILES (mnx) [CH3:1][CH2:4][N:15]([CH2:5][CH:6]=[O:16])[CH2:7][C:10](=[N:14][CH:11]([CH:8]([CH3:2])[C:12]([C:13]([OH:20])=[O:21])=[O:19])[CH:9]([CH3:3])[OH:17])[OH:18]

Parent-child relations graph

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