compound 0076629

Properties Image MNX_ID MNXM1173123 reference envipathM:...04ccc23f609e formula C13H10NO6 global charge -1 mol weight 276.224 InChIKey XWCSLLAPRUISPJ-UHFFFAOYSA-M InChI InChI=1S/C13H11NO6/c1-8(16)13(20,6-11(17)18)12(19)9-2-4-10(5-3-9)14-7-15/h2-5,20H,6H2,1H3,(H,17,18)/p-1 SMILES CC(=O)C(O)(CC(=O)[O-])C(=O)C1=CC=C(N=C=O)C=C1 MNX internals InChI (mnx) InChI=1/C13H11NO6/c1-8(16)13(20,6-11(17)18)12(19)9-2-4-10(5-3-9)14-7-15/h2-5,20H,6H2,1H3,(H,17,18)/t13? SMILES (mnx) [CH3:1][C:8]([C:13]([CH2:6][C:11](=[O:17])[OH:18])([C:12]([C:9]1=[CH:3][CH:5]=[C:10]([N:14]=[C:7]=[O:15])[CH:4]=[CH:2]1)=[O:19])[OH:20])=[O:16]

Parent-child relations graph

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