compound 0228684

Properties Image MNX_ID MNXM1182287 reference envipathM:...45c2d75717a5 formula C12H14N2O9 global charge -2 mol weight 330.249 InChIKey KNGRWDYVDUFXQO-GQCTYLIASA-L InChI InChI=1S/C12H16N2O9/c1-5(15)14-3-2-12(23,11(13)22)6(4-7(16)17)8(18)9(19)10(20)21/h4,11,22-23H,2-3,13H2,1H3,(H,14,15)(H,16,17)(H,20,21)/p-2/b6-4+ SMILES CC(=O)NCCC(O)(/C(=C/C(=O)[O-])C(=O)C(=O)C(=O)[O-])C(N)O MNX internals InChI (mnx) InChI=1/C12H16N2O9/c1-5(15)14-3-2-12(23,11(13)22)6(4-7(16)17)8(18)9(19)10(20)21/h4,11,22-23H,2-3,13H2,1H3,(H,14,15)(H,16,17)(H,20,21)/b6-4+/t11?,12? SMILES (mnx) [CH3:1][C:5](=[N:14][CH2:3][CH2:2][C:12](/[C:6](=[CH:4]/[C:7](=[O:16])[OH:17])[C:8]([C:9]([C:10](=[O:20])[OH:21])=[O:19])=[O:18])([CH:11]([NH2:13])[OH:22])[OH:23])[OH:15]

Parent-child relations graph

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