compound 0109037

Properties Image MNX_ID MNXM1175171 reference envipathM:...1a5b69087876 formula C13H20N2O9 global charge -2 mol weight 348.308 InChIKey JZOBUDDYEZFNNJ-LHHJGKSTSA-L InChI InChI=1S/C13H22N2O9/c1-4-15(6-9(18)19)8(17)5-14-13(24,7(2)16)12(3,23)10(20)11(21)22/h5,7-8,16-17,23-24H,4,6H2,1-3H3,(H,18,19)(H,21,22)/p-2/b14-5+ SMILES CCN(CC(=O)[O-])C(O)/C=N/C(O)(C(C)O)C(C)(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O9/c1-4-15(6-9(18)19)8(17)5-14-13(24,7(2)16)12(3,23)10(20)11(21)22/h5,7-8,16-17,23-24H,4,6H2,1-3H3,(H,18,19)(H,21,22)/b14-5+/t7?,8?,12?,13? SMILES (mnx) [CH3:1][CH2:4][N:15]([CH2:6][C:9](=[O:18])[OH:19])[CH:8](/[CH:5]=[N:14]/[C:13]([CH:7]([CH3:2])[OH:16])([C:12]([CH3:3])([C:10]([C:11]([OH:21])=[O:22])=[O:20])[OH:23])[OH:24])[OH:17]

Parent-child relations graph

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