compound 0108672

Properties Image MNX_ID MNXM1181688 reference envipathM:...a2a65302b55a formula C13H20N2O8 global charge -2 mol weight 332.309 InChIKey BTRAZFLXYRYKGY-LHHJGKSTSA-L InChI InChI=1S/C13H22N2O8/c1-3-15(4-2)8(17)5-14-9(11(19)13(22)23)7(6-16)10(18)12(20)21/h5,7-9,11,16-17,19H,3-4,6H2,1-2H3,(H,20,21)(H,22,23)/p-2/b14-5+ SMILES CCN(CC)C(O)/C=N/C(C(O)C(=O)[O-])C(CO)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O8/c1-3-15(4-2)8(17)5-14-9(11(19)13(22)23)7(6-16)10(18)12(20)21/h5,7-9,11,16-17,19H,3-4,6H2,1-2H3,(H,20,21)(H,22,23)/b14-5+/t7?,8?,9?,11? SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:4][CH3:2])[CH:8](/[CH:5]=[N:14]/[CH:9]([CH:7]([CH2:6][OH:16])[C:10]([C:12]([OH:20])=[O:21])=[O:18])[CH:11]([C:13](=[O:22])[OH:23])[OH:19])[OH:17]

Parent-child relations graph

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