<p>Metabolomics accounts for the metabolic alterations and identification of novel biomarkers in the war to combat cancer. This review explores advancements in metabolomics, emphasizing its application in understanding cancer-associated metabolic pathways and phytochemical interactions. Herein, we have explored the literature overview on the spectrometric integration of nuclear magnetic resonance with mass spectrometric methods for comprehensive metabolite profiling, enabling the identification and the documentation of critical biomarkers, allowing the early cancer detection, and monitoring its prognosis. We also look at metabolic dysregulations in cancer, such as oncometabolites and the Warburg effect, which aid in the growth of tumors. Natural products have been thoroughly examined for their anticancer potential, and metabolomics provides a systematic approach to evaluating their efficacy. This review highlights various plant-based bioactive compounds, including curcumin, genistein, and withaferin A, which have demonstrated anticancer properties through metabolomic profiling. Furthermore, we discuss next-generation metabolomics and pharmaco-metabolomics for precision oncology and personalized cancer treatment. By integrating metabolomics with emerging bioinformatics tools, this review provides a comprehensive framework for biomarker discovery, early cancer detection, and therapeutic advancements. The insights presented herein underscore the potential of metabolomics in bridging traditional cancer research with innovative prevention strategies, ultimately contributing to the advancement of more precise and effective targeted cancer therapies.</p> Graphical abstract <p></p>