Comparative analysis of flavonoids and phenolic acids metabolites from different parts of Ligusticum jeholense

Ligusticum jeholense is traditionally used in Chinese medicine for its roots, while its aerial stems and leaves are edible. However, metabolomic analyses of flavonoids and phenolic acids in different parts of this plant, as well as the accumulation patterns of various components, remain poorly investigated. In this study, widely targeted metabolomics based on UPLC-MS/MS was employed to analyze the polyphenolic metabolite profiles of the roots (EG), stems (EJ), and leaves (EY). A total of 2,871 metabolites were detected and putatively annotated, including 303 flavonoids and 339 phenolic acids. Comparative analysis screened out 2,330 differentially accumulated metabolites (DAMs), among which 12 flavonoids and 5 phenolic acids were tentatively identified as key tissue-specific metabolites. Leaves were predominantly characterized by flavonoid metabolites, including kaempferol derivatives such as kaempferol-O-acetyl-hexoside (Lmmn003398 and ZBN0303), along with luteolin derivatives such as luteolin O-acetyl-hexoside (Saln004222) and quercetin derivatives such as quercetin-O-acetyl-hexoside (Hmln002199). In contrast, roots were mainly characterized by phenolic acid metabolites, including hydroxy-methoxy cinnamic acid, ferulic acid, isoferulic acid, and acetylmethoxybenzoic acid (PDN035876). Relative quantitative analysis revealed that total flavonoid content was highest in the leaves, whereas total phenolic acid content peaked in the roots. The antioxidant capacity of different organs was positively correlated with their total flavonoid and total phenolic acid contents, with leaves exhibiting the strongest antioxidant activity. The contents of flavonoids and phenolic acids vary among different parts of L. jeholense . These findings elucidate the organ-specific accumulation patterns of bioactive compounds in L. jeholense , providing a scientific basis for the sustainable utilization of this plant in the functional food and pharmaceutical industries.