compound 0100918

Properties Image MNX_ID MNXM1181596 reference envipathM:...0f732a9a4064 formula C13H21N2O7 global charge -1 mol weight 317.318 InChIKey WOTKTHSIVDGQBA-UHFFFAOYSA-M InChI InChI=1S/C13H22N2O7/c1-4-15(5-2)8-9(17)14-13(22,6-7-16)12(3,21)10(18)11(19)20/h7,21-22H,4-6,8H2,1-3H3,(H,14,17)(H,19,20)/p-1 SMILES CCN(CC)C/C(O)=N/C(O)(CC=O)C(C)(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O7/c1-4-15(5-2)8-9(17)14-13(22,6-7-16)12(3,21)10(18)11(19)20/h7,21-22H,4-6,8H2,1-3H3,(H,14,17)(H,19,20)/t12?,13? SMILES (mnx) [CH3:1][CH2:4][N:15]([CH2:5][CH3:2])[CH2:8][C:9](=[N:14][C:13]([CH2:6][CH:7]=[O:16])([C:12]([CH3:3])([C:10]([C:11]([OH:19])=[O:20])=[O:18])[OH:21])[OH:22])[OH:17]

Parent-child relations graph

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