compound 0226508

Properties Image MNX_ID MNXM1183220 reference envipathM:...d011a28fb7b6 formula C10H7NO6 global charge -2 mol weight 237.167 InChIKey XGYCAKLUXQETIX-UHFFFAOYSA-L InChI InChI=1S/C10H9NO6/c12-2-1-5-4-11-9(8(5)10(16)17)6(13)3-7(14)15/h2,4,11H,1,3H2,(H,14,15)(H,16,17)/p-2 SMILES O=CCC1=CNC(C(=O)CC(=O)[O-])=C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H9NO6/c12-2-1-5-4-11-9(8(5)10(16)17)6(13)3-7(14)15/h2,4,11H,1,3H2,(H,14,15)(H,16,17) SMILES (mnx) [CH2:1]([CH:2]=[O:12])[C:5]1=[CH:4][NH:11][C:9]([C:6]([CH2:3][C:7](=[O:14])[OH:15])=[O:13])=[C:8]1[C:10]([OH:16])=[O:17]

Parent-child relations graph

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