compound 0101469

Properties Image MNX_ID MNXM1189889 reference envipathM:...e1a21dbd000e formula C13H21N2O7 global charge -1 mol weight 317.318 InChIKey WPLZHTHSDMKBGX-UHFFFAOYSA-M InChI InChI=1S/C13H22N2O7/c1-3-15(5-7-17)8-10(18)14-13(22,4-6-16)9(2)11(19)12(20)21/h7,9,16,22H,3-6,8H2,1-2H3,(H,14,18)(H,20,21)/p-1 SMILES CCN(CC=O)C/C(O)=N/C(O)(CCO)C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O7/c1-3-15(5-7-17)8-10(18)14-13(22,4-6-16)9(2)11(19)12(20)21/h7,9,16,22H,3-6,8H2,1-2H3,(H,14,18)(H,20,21)/t9?,13? SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:5][CH:7]=[O:17])[CH2:8][C:10](=[N:14][C:13]([CH2:4][CH2:6][OH:16])([CH:9]([CH3:2])[C:11]([C:12]([OH:20])=[O:21])=[O:19])[OH:22])[OH:18]

Parent-child relations graph

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