Interdisciplinary research line that encompasses the theoretical and experimental investigation of molecular structures, stereochemistry, and reactive behavior in both synthetic and natural compounds. It investigates advanced analytical methods such as spectroscopy, chromatography, and spectrometry to elucidate the molecular structure of small and macromolecular organic compounds, as well as complex matrices. It explores the relationships between structure and biological activity, providing insights for the development of pharmaceuticals, agrochemicals, and innovative materials. It examines the interactions of these substances with the environment and organisms, contributing to the understanding of chemical ecology and its role in the coevolution of living beings and their surroundings. Additionally, it applies to the discovery of new bioactive agents and the sustainable management of ecosystems.