compound 0228529

Properties Image MNX_ID MNXM1173328 reference envipathM:...943dc45228f8 formula C12H14N2O9 global charge -2 mol weight 330.249 InChIKey KATHGAXDOIYBLM-HJWRWDBZSA-L InChI InChI=1S/C12H16N2O9/c1-5(15)13-3-6(16)12(23)4-14-9(8(19)10(20)21)11(12,22)2-7(17)18/h14,19,22-23H,2-4H2,1H3,(H,13,15)(H,17,18)(H,20,21)/p-2/b9-8- SMILES CC(=O)NCC(=O)C1(O)CN/C(=C(\O)C(=O)[O-])C1(O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H16N2O9/c1-5(15)13-3-6(16)12(23)4-14-9(8(19)10(20)21)11(12,22)2-7(17)18/h14,19,22-23H,2-4H2,1H3,(H,13,15)(H,17,18)(H,20,21)/b9-8-/t11?,12? SMILES (mnx) [CH3:1][C:5](=[N:13][CH2:3][C:6]([C:12]1([OH:23])[CH2:4][NH:14]/[C:9](=[C:8](/[C:10](=[O:20])[OH:21])[OH:19])[C:11]1([CH2:2][C:7](=[O:17])[OH:18])[OH:22])=[O:16])[OH:15]

Parent-child relations graph

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