compound 0101795

Properties Image MNX_ID MNXM1138438 reference envipathM:...f333a45a79ee formula C13H23N2O8 global charge -1 mol weight 335.333 InChIKey PPMGTYSWHFGXSA-UHFFFAOYSA-M InChI InChI=1S/C13H24N2O8/c1-4-15(10(19)6-16)5-9(18)14-13(23,8(3)17)7(2)11(20)12(21)22/h7-8,10,16-17,19,23H,4-6H2,1-3H3,(H,14,18)(H,21,22)/p-1 SMILES CCN(C/C(O)=N/C(O)(C(C)O)C(C)C(=O)C(=O)[O-])C(O)CO MNX internals InChI (mnx) InChI=1/C13H24N2O8/c1-4-15(10(19)6-16)5-9(18)14-13(23,8(3)17)7(2)11(20)12(21)22/h7-8,10,16-17,19,23H,4-6H2,1-3H3,(H,14,18)(H,21,22)/t7?,8?,10?,13? SMILES (mnx) [CH3:1][CH2:4][N:15]([CH2:5][C:9](=[N:14][C:13]([CH:7]([CH3:2])[C:11]([C:12]([OH:21])=[O:22])=[O:20])([CH:8]([CH3:3])[OH:17])[OH:23])[OH:18])[CH:10]([CH2:6][OH:16])[OH:19]

Parent-child relations graph

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