Coffee (Coffea spp.) is one of the most economically important crop species and serves as a rich source of bioactive specialized (secondary) metabolites with various health-promoting properties. Advances in analytical food chemistry and phytochemistry have elucidated an extensive and structurally diverse specialized metabolism in coffee beans, much of which contributes to both organoleptic attributes and adaptive physiological responses in coffee plants. Recent developments in omics-driven methodologies have provided new insights into both coffee metabolism and breeding strategies, particularly those aimed at enhancing both quality traits and environmental resilience. Comparative genomic analyses across Coffea species and cultivars have facilitated the detection of metabolic polymorphisms, enabling inter- and intra-species assessments of biosynthetic pathway variation and the refinement of biosynthetic frameworks for further functional genomics approaches. Such approaches yield critical information regarding the genetic and biochemical determinants underlying specialized metabolite accumulations, which can be directly applied for targeted metabolic engineering and crop improvement. Moreover, cross-species comparative omics and multi-omics integrative analyses, particularly in relation to phylogenetically relevant taxa such as Solanaceae species, exemplified by the model crop tomato (Solanum lycopersicum), provide valuable translational insights into conserved and divergent metabolic architectures.
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