Purine and pyrimidine bases are naturally produced in living organisms, and dietary nucleic acids are metabolized into waste products within the human body. Uric acid, the final product of purine metabolism, is associated with various diseases when present at elevated levels. In this study, we used time-dependent density functional theory to analyze the optical absorption and high-order harmonic generation spectra of the uric acid molecule and crystal, along with its repair metabolites, 5-hydroxyisourate and allantoin. Our results reveal distinct optical properties among these compounds, showcasing significant differences. Notably, variations in the energy excitation range, dipole oscillation strength in the optical absorption cross-section spectra, as well as marked differences in the plateau region, cut-off harmonic, anisotropy, and harmonic yield in the high-order harmonic generation spectra, were observed. These findings indicate that the spectral features of uric acid and its derivatives could be valuable for detecting uric acid accumulation and for studying intermediate and final products of the uric acid repair process. Overall, high-order harmonic and optical absorption cross-section spectra emerge as promising tools for exploring disease-related metabolites, with potential applications in early detection and prevention of conditions linked to abnormal uric acid levels.