compound 0104392

Properties Image MNX_ID MNXM1168681 reference envipathM:...3086092a8910 formula C13H19N2O7 global charge -1 mol weight 315.302 InChIKey SBMJLCKGVIXCAN-UHFFFAOYSA-M InChI InChI=1S/C13H20N2O7/c1-3-15(4-2)5-10(19)14-11(9(18)7-17)8(6-16)12(20)13(21)22/h6-9,11,18H,3-5H2,1-2H3,(H,14,19)(H,21,22)/p-1 SMILES CCN(CC)C/C(O)=N/C(C(O)C=O)C(C=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H20N2O7/c1-3-15(4-2)5-10(19)14-11(9(18)7-17)8(6-16)12(20)13(21)22/h6-9,11,18H,3-5H2,1-2H3,(H,14,19)(H,21,22)/t8?,9?,11? SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:4][CH3:2])[CH2:5][C:10](=[N:14][CH:11]([CH:8]([CH:6]=[O:16])[C:12]([C:13]([OH:21])=[O:22])=[O:20])[CH:9]([CH:7]=[O:17])[OH:18])[OH:19]

Parent-child relations graph

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