compound 0104678

Properties Image MNX_ID MNXM1193072 reference envipathM:...7bf8be5a682f formula C13H21N2O8 global charge -1 mol weight 333.317 InChIKey XZHQOVKOJNLEEA-UHFFFAOYSA-M InChI InChI=1S/C13H22N2O8/c1-3-15(4-5-16)6-9(19)14-10(8(18)7-17)13(2,23)11(20)12(21)22/h5,8,10,17-18,23H,3-4,6-7H2,1-2H3,(H,14,19)(H,21,22)/p-1 SMILES CCN(CC=O)C/C(O)=N/C(C(O)CO)C(C)(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O8/c1-3-15(4-5-16)6-9(19)14-10(8(18)7-17)13(2,23)11(20)12(21)22/h5,8,10,17-18,23H,3-4,6-7H2,1-2H3,(H,14,19)(H,21,22)/t8?,10?,13? SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:4][CH:5]=[O:16])[CH2:6][C:9](=[N:14][CH:10]([CH:8]([CH2:7][OH:17])[OH:18])[C:13]([CH3:2])([C:11]([C:12]([OH:21])=[O:22])=[O:20])[OH:23])[OH:19]

Parent-child relations graph

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