compound 0228990

Properties Image MNX_ID MNXM1181778 reference envipathM:...7836478d97ad formula C11H14N2O7 global charge -2 mol weight 286.24 InChIKey NEQGXTLIZNITCX-QPJJXVBHSA-L InChI InChI=1S/C11H16N2O7/c1-6(14)12-3-2-10(19)5-13-7(4-8(15)16)11(10,20)9(17)18/h4,13,19-20H,2-3,5H2,1H3,(H,12,14)(H,15,16)(H,17,18)/p-2/b7-4+ SMILES CC(=O)NCCC1(O)CN/C(=C/C(=O)[O-])C1(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H16N2O7/c1-6(14)12-3-2-10(19)5-13-7(4-8(15)16)11(10,20)9(17)18/h4,13,19-20H,2-3,5H2,1H3,(H,12,14)(H,15,16)(H,17,18)/b7-4+/t10?,11? SMILES (mnx) [CH3:1][C:6](=[N:12][CH2:3][CH2:2][C:10]1([OH:19])[CH2:5][NH:13]/[C:7](=[CH:4]/[C:8](=[O:15])[OH:16])[C:11]1([C:9](=[O:17])[OH:18])[OH:20])[OH:14]

Parent-child relations graph

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