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Methylxanthines are the most consumed psychoactive substances in the world. Caffeine (1,3,7-trimethylxanthine) is the major methylxanthine in foods, followed by theobromine (3,7-dimethylxanthine), and, more scarcely, theophylline (1,3-dimethylxanthine). They are predominantly found in different parts of Coffea (coffee), Camelia sinensis (traditional tea), Ilex paraguariensis (maté), Theobroma cacao (cocoa), Paulinia cupana (guaraná), and Cola (kola), among other plants. Caffeine and theobromine are also available in a number of commercial non-alcoholic beverages, supplements, and in association with therapeutic drugs. This chapter will approach chemical and compositional aspects of methylxanthines in coffee, including contents in the seeds and beverages, as well as factors that commonly affect them.

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