compound 0109617

Properties Image MNX_ID MNXM1177464 reference envipathM:...f3df254734da formula C12H16N2O7 global charge -2 mol weight 300.267 InChIKey BBPUSAQEAMZHSK-YVMONPNESA-L InChI InChI=1S/C12H18N2O7/c1-3-14(4-2)7-9(16)13-8(5-6-15)12(21,10(17)18)11(19)20/h5-6,21H,3-4,7H2,1-2H3,(H,13,16)(H,17,18)(H,19,20)/p-2/b8-5- SMILES CCN(CC)C/C(O)=N/C(=C\C=O)C(O)(C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O7/c1-3-14(4-2)7-9(16)13-8(5-6-15)12(21,10(17)18)11(19)20/h5-6,21H,3-4,7H2,1-2H3,(H,13,16)(H,17,18)(H,19,20)/b8-5- SMILES (mnx) [CH3:1][CH2:3][N:14]([CH2:4][CH3:2])[CH2:7]/[C:9](=[N:13]/[C:8](=[CH:5]\[CH:6]=[O:15])[C:12]([C:10](=[O:17])[OH:18])([C:11](=[O:19])[OH:20])[OH:21])[OH:16]

Parent-child relations graph

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