Comparative metabolomics analysis revealed biomarkers and distinct flavonoid biosynthesis regulation in Chrysanthemum mongolicum and C. rhombifolium

Abstract Introduction Chrysanthemums are traditional flowers that originated in China and have high ornamental, economic and medicinal value. They are widely used as herbal remedies and consumed as food or beverages in folk medicine. However, little is known about their metabolic composition. Objectives The aims of this work were to determine the metabolic composition of and natural variation among different species of Chrysanthemum and to explore new potential resources for drug discovery and sustainable utilisation of wild Chrysanthemum . Methods The metabolomes of Chrysanthemum mongolicum (Ling) Tzvel. and Chrysanthemum rhombifolium H. Ohashi & Yonek. were compared using a widely targeted metabolomics approach based on liquid chromatography–tandem mass spectrometry (LC–MS/MS). Results In total, 477 metabolites were identified, of which 72 showed significant differences in expression between C. mongolicum and C. rhombifolium , mainly in flavonoids, organic acids and nucleotides. The flavone and flavonol biosynthesis pathway showed significant enrichment among the differentially expressed metabolites. The contents of genkwanin, trigonelline, diosmin, narcissoside, 3,4‐dihydroxyphenylacetic acid, linarin, N ′, N ′‐ p ‐coumarin, C ‐hexosyl‐tricetin O ‐pentoside, chrysoeriol, acacetin and kaempferol‐3‐ O ‐gentiobioside were significantly different between the two species and represent potential biomarkers. Conclusion The types of flavonoid‐related metabolites in the flavonoid biosynthesis pathway differed between C. mongolicum and C. rhombifolium . The mechanisms underlying the unique adaptations of these two species to their environments may involve variations in the composition and abundance of flavonoids, organic acids, and nucleotides. These methods are promising to identify functional compounds in Chrysanthemum species and can provide potential resources for drug discovery and the sustainable utilisation of Chrysanthemum plants.