compound 0227957

Properties Image MNX_ID MNXM1188311 reference envipathM:...f5b779f74e01 formula C12H11NO8 global charge -2 mol weight 297.219 InChIKey FOZVOAMWPMJJDE-YWEYNIOJSA-L InChI InChI=1S/C12H13NO8/c1-6(15)13-3-2-7(5-14)8(4-9(16)17)10(18)11(19)12(20)21/h4-5,7H,2-3H2,1H3,(H,13,15)(H,16,17)(H,20,21)/p-2/b8-4- SMILES CC(=O)NCCC(C=O)/C(=C/C(=O)[O-])C(=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H13NO8/c1-6(15)13-3-2-7(5-14)8(4-9(16)17)10(18)11(19)12(20)21/h4-5,7H,2-3H2,1H3,(H,13,15)(H,16,17)(H,20,21)/b8-4-/t7? SMILES (mnx) [CH3:1][C:6](=[N:13][CH2:3][CH2:2][CH:7]([CH:5]=[O:14])/[C:8](=[CH:4]/[C:9](=[O:16])[OH:17])[C:10]([C:11]([C:12](=[O:20])[OH:21])=[O:19])=[O:18])[OH:15]

Parent-child relations graph

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