compound 0107605

Properties Image MNX_ID MNXM1195138 reference envipathM:...0345b176ad43 formula C13H15N2O7 global charge -3 mol weight 311.27 InChIKey DBQKTHYHMUOVGN-OWNHSFIXSA-K InChI InChI=1S/C13H18N2O7/c1-3-15(4-2)7-10(16)14-9(6-12(19)20)8(13(21)22)5-11(17)18/h5-6H,3-4,7H2,1-2H3,(H,14,16)(H,17,18)(H,19,20)(H,21,22)/p-3/b8-5+,9-6- SMILES CCN(CC)C/C(O)=N/C(=C\C(=O)[O-])/C(=C\C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H18N2O7/c1-3-15(4-2)7-10(16)14-9(6-12(19)20)8(13(21)22)5-11(17)18/h5-6H,3-4,7H2,1-2H3,(H,14,16)(H,17,18)(H,19,20)(H,21,22)/b8-5+,9-6- SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:4][CH3:2])[CH2:7]/[C:10](=[N:14]/[C:9](=[CH:6]\[C:12](=[O:19])[OH:20])/[C:8](=[CH:5]\[C:11](=[O:17])[OH:18])[C:13](=[O:21])[OH:22])[OH:16]

Parent-child relations graph

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