Differential Metabolic Analysis of Rhizomes in Shancigu Based on Widely Targeted Metabolomics

Background: Shancigu is a traditional Chinese medicine which is effective at clearing heat, detoxifying, dissipating masses, and resolving nodules. It consists of the dried pseudobulbs of orchids such asCremastra appendiculata, orPleione yunnanensis. To deeply understand the differences in the compositional and pharmacological active compounds in Shancigu, this study employed widely targeted metabolomics to analyze differential metabolites between two Shancigu species,C. appendiculataandP. yunnanensis. Methods: In this study, ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS) was used to qualitatively, quantitatively, and differentially analyze the metabolites ofC. appendiculataandP. yunnanensis. Results: Metabolite profiling identified 2890 compounds across 13 classes. Within these, 687 metabolites showed significant differential abundance (23.76% total), including 331 upregulated and 356 downregulated compounds. Pathway enrichment analysis revealed these differential metabolites primarily concentrated in stilbenoid biosynthesis (types I and II) and flavonoid aglycone biosynthesis. The most highly expressed metabolites in theCremastragroup were L-tyrosine, dopamine and 3,4-dihydroxybenzaldehyde-xylose-glucoside, while in thePleionegroup, the most abundant metabolites were 3,5-dihydroxy-2’-methoxy-4-methylbibenzyl, Shancigusin F and aloifol I.C. appendiculatapreferentially accumulates flavonoids and phenolic acids whereasP. yunnanensisfavors terpenoid and nucleotide derivative production. Conclusions: This study identifies key differential metabolites inC. appendiculataandP. yunnanensis, providing basic data for the overall evaluation and breeding of Shancigu, laying a foundation for further quality control and precise medication of Shancigu.