Lipid Profiling of Toki Root and Leaf Using Liquid Chromatography/Mass Spectrometry Revealed Detection of Novel FAHFAs

Toki is a medicinal plant widely used in several Asian countries for the treatment of inflammation and metabolic disorders. Dietary lipids have been reported to mediate pharmacological activities, including anti-inflammatory, antioxidant, and immunomodulatory effects; however, comprehensive lipid profiling of Toki remains limited. In this study, we applied a nontargeted liquid chromatography/mass spectrometry approach to analyze and compare the lipid compositions of the root and leaf samples of Toki. A total of 130 lipid metabolites were identified, and their molecular species were confirmed on the basis of retention times and MS/MS fragmentation patterns. Multivariate principal component analysis showed a unique lipid composition in the Toki leaves and roots. Heatmap analysis further demonstrated that most identified lipid metabolites were more abundant in the Toki leaves than in the roots. Lipid metabolites, such as fatty acid esters of hydroxy fatty acids, were identified in Toki for the first time. This finding highlights Toki as a potential natural source of bioactive lipids.