compound 0101833

Properties Image MNX_ID MNXM1170069 reference envipathM:...9b6ccf5a532c formula C13H21N2O6 global charge -1 mol weight 301.319 InChIKey GRWKWBLPPRNEKM-MKMNVTDBSA-M InChI InChI=1S/C13H22N2O6/c1-4-15(5-2)10(18)6-14-11(8(3)17)9(7-16)12(19)13(20)21/h6,9-11,16,18H,4-5,7H2,1-3H3,(H,20,21)/p-1/b14-6+ SMILES CCN(CC)C(O)/C=N/C(C(C)=O)C(CO)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O6/c1-4-15(5-2)10(18)6-14-11(8(3)17)9(7-16)12(19)13(20)21/h6,9-11,16,18H,4-5,7H2,1-3H3,(H,20,21)/b14-6+/t9?,10?,11? SMILES (mnx) [CH3:1][CH2:4][N:15]([CH2:5][CH3:2])[CH:10](/[CH:6]=[N:14]/[CH:11]([C:8]([CH3:3])=[O:17])[CH:9]([CH2:7][OH:16])[C:12]([C:13]([OH:20])=[O:21])=[O:19])[OH:18]

Parent-child relations graph

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