This study investigated the chemical and sensory distinctions in tomato fruits from three Physalis species (P. ixocarpa, P. angulata, and P. philadelphica) found in Michoacán, Mexico, using metabolomic fingerprinting through GC-MS analysis. The objective was to identify organoleptic differences that could influence consumer preferences, highlighting the significance of these species’ unique traits. These species represented a valuable genetic reservoir for potential hybridization or selection aimed at enhancing commercial varieties by focusing on organoleptic properties rather than traditional selection criteria like fruit size or yield. This research emphasizes the importance of preserving Mexican biodiversity and providing insights into domestication processes that prioritize flavor and sensory qualities. By analyzing metabolite profiles and their correlation with taste preferences, this study contributes to understanding how these differences could be leveraged in breeding programs to develop new tomato varieties with preferred flavors. It was suggested that variations in taste among the species are mainly due to differences in metabolite expression. This knowledge underscores the importance of organoleptic properties in the selection and domestication of edible fruits, offering a pathway toward the conservation and enhancement of tomato varieties through the exploitation of genetic diversity for organoleptic improvement.