BiomarkerOf caffeine A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. CHEBI:27732 HMDB01847 RYYVLZVUVIJVGH-UHFFFAOYSA-N FOBI:030658 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 C07481 | D00528 2519 Xanthines tea based beverage product coffee based beverage product cacao food product