compound 0104135

Properties Image MNX_ID MNXM1180928 reference envipathM:...652b7f49b6a8 formula C13H20N2O8 global charge -2 mol weight 332.309 InChIKey CKDXSMBKZFKTMU-UHFFFAOYSA-L InChI InChI=1S/C13H22N2O8/c1-3-8(13(23,7-16)11(20)12(21)22)14-9(17)5-15(4-2)6-10(18)19/h8,16,23H,3-7H2,1-2H3,(H,14,17)(H,18,19)(H,21,22)/p-2 SMILES CCC(/N=C(\O)CN(CC)CC(=O)[O-])C(O)(CO)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O8/c1-3-8(13(23,7-16)11(20)12(21)22)14-9(17)5-15(4-2)6-10(18)19/h8,16,23H,3-7H2,1-2H3,(H,14,17)(H,18,19)(H,21,22)/t8?,13? SMILES (mnx) [CH3:1][CH2:3][CH:8]([C:13]([CH2:7][OH:16])([C:11]([C:12]([OH:21])=[O:22])=[O:20])[OH:23])[N:14]=[C:9]([CH2:5][N:15]([CH2:4][CH3:2])[CH2:6][C:10](=[O:18])[OH:19])[OH:17]

Parent-child relations graph

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