compound 0102681

Properties Image MNX_ID MNXM1184030 reference envipathM:...fc9cdc8d9872 formula C13H20N2O7 global charge -2 mol weight 316.31 InChIKey SDWMUSBAPANESS-UHFFFAOYSA-L InChI InChI=1S/C13H22N2O7/c1-4-15(5-2)6-8(16)14-9(11(18)13(21)22)7(3)10(17)12(19)20/h7,9,11,18H,4-6H2,1-3H3,(H,14,16)(H,19,20)(H,21,22)/p-2 SMILES CCN(CC)C/C(O)=N/C(C(C)C(=O)C(=O)[O-])C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O7/c1-4-15(5-2)6-8(16)14-9(11(18)13(21)22)7(3)10(17)12(19)20/h7,9,11,18H,4-6H2,1-3H3,(H,14,16)(H,19,20)(H,21,22)/t7?,9?,11? SMILES (mnx) [CH3:1][CH2:4][N:15]([CH2:5][CH3:2])[CH2:6][C:8](=[N:14][CH:9]([CH:7]([CH3:3])[C:10]([C:12]([OH:19])=[O:20])=[O:17])[CH:11]([C:13](=[O:21])[OH:22])[OH:18])[OH:16]

Parent-child relations graph

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