compound 0228053

Properties Image MNX_ID MNXM1188370 reference envipathM:...17fe28e08ebe formula C11H14N2O8 global charge -2 mol weight 302.239 InChIKey QMENUBDGUXEKME-UHFFFAOYSA-L InChI InChI=1S/C11H16N2O8/c1-4(14)13-3-6(15)5(2-12)7(8(16)10(18)19)9(17)11(20)21/h2,6-8,15-16H,3,12H2,1H3,(H,13,14)(H,18,19)(H,20,21)/p-2 SMILES CC(=O)NCC(O)C(=CN)C(C(=O)C(=O)[O-])C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H16N2O8/c1-4(14)13-3-6(15)5(2-12)7(8(16)10(18)19)9(17)11(20)21/h2,6-8,15-16H,3,12H2,1H3,(H,13,14)(H,18,19)(H,20,21)/b5-2?/t6?,7?,8? SMILES (mnx) [CH3:1][C:4](=[N:13][CH2:3][CH:6]([C:5](=[CH:2][NH2:12])[CH:7]([CH:8]([C:10](=[O:18])[OH:19])[OH:16])[C:9]([C:11]([OH:20])=[O:21])=[O:17])[OH:15])[OH:14]

Parent-child relations graph

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