目的 基于非靶向代谢组学探究不同种原蒲公英小分子代谢物的种类、数量和表达差异，揭示不同种原蒲公英代谢物组成的全面信息。方法 采用UPLC-Q-TOF-MS技术对10个不同来源蒲公英样本进行非靶向代谢组学分析，通过Progenesis QI软件对代谢物进行数据预处理与鉴定，结合主成分分析（principal component analysis，PCA）筛选显著差异代谢物，并利用京都基因与基因组百科全书（Kyoto encyclopedia of genes and genomes，KEGG）数据库进行代谢通路富集分析，解析代谢差异的生物学意义。结果 共鉴定出2 843种代谢物，其中1 537种为显著差异代谢物，包含19个化学类别，其中占比较多的为脂质和类脂质分子（23.89%）、有机酸及其衍生物（16.33%）和有机氧化合物（15.55%）。以河北保定产蒲公英为对照，其他9个样品的差异代谢物数量分布不均且差异显著，其中青海西宁最多（731种），黑龙江齐齐哈尔最少（242种）。以酚酸类化合物（菊苣酸等）为代表的优势代谢物表达模式具有明显的地域特征和种原差别，其中菊苣酸在河南南阳（栽培种）下调表达，其他种原（野生种）均上调；D-酒石酸在所有分组中均上调表达，1-咖啡酰奎宁酸均下调表达。KEGG富集分析显示，苯丙烷生物合成、类黄酮生物合成等次生代谢途径在蒲公英的代谢差异中起重要作用，辅助因子和抗生素生物合成等通路亦呈现显著富集特征。此外，9个比较组中鉴定出17种共同表达的差异代谢物，涵盖多种化学类别，其中青蒿素、单咖啡酰酒石酸等为具有显著生物活性的代谢物，证明蒲公英具备稳定且保守的的次生代谢能力，能够在多样环境中持续合成具有重要药理活性的化合物。结论 蒲公英代谢物呈现多样性特征，不同来源蒲公英的代谢物组成和丰度上存在显著差异，种原（栽培种和野生）对其次生代谢物积累具有重要影响，为蒲公英品种选育、药用开发及质量控制提供科学依据。

Objective This study aims to investigate the types, quantities, and expression differences of small-molecule metabolites in dandelions from different origins using untargeted metabolomics and to provide a comprehensive understanding of dandelion metabolite composition. Methods Untargeted metabolomics analysis was performed on dandelion samples from ten different origins using UPLC-Q-TOF-MS technology. Metabolite data were preprocessed and identified using Progenesis QI software. Significant differential metabolites were screened through principal component analysis (PCA), and KEGG pathway enrichment analysis was conducted to elucidate the biological significance of the metabolic differences. Results A total of 2 843 metabolites were identified, among which 1 537 were found to be significantly different, spanning 19 chemical categories. The most abundant categories were lipids and lipid-like molecules (23.89%), organic acids and derivatives (16.33%), and organic oxygen compounds (15.55%). Compared to dandelions from Baoding, Hebei, the number of differential metabolites varied significantly across the other nine origins, with the highest number observed in Xining, Qinghai (731 metabolites) and the lowest in Qiqihaer, Heilongjiang (242 metabolites). The expression patterns of key metabolites, particularly phenolic acids (e.g., chlorogenic acid), displayed distinct regional and genetic characteristics. Chlorogenic acid was downregulated in Nanyang, Henan (a cultivated variety) but upregulated in all other wild varieties. D-tartaric acid was consistently upregulated across all groups, while 1-caffeoylquinic acid was uniformly downregulated. KEGG enrichment analysis indicated that secondary metabolic pathways, such as phenylpropanoid biosynthesis and flavonoid biosynthesis, play a significant role in the metabolic differences among dandelions. Additionally, pathways related to cofactor and antibiotic biosynthesis also showed significant enrichment. Seventeen common differential metabolites were identified across the nine comparison groups, encompassing various chemical categories. Notably, artemisinin and monocaffeoyltartaric acid, known for their significant biological activity, were among these metabolites. These findings suggest that dandelions possess stable and conserved secondary metabolic capabilities, enabling the continuous synthesis of pharmacologically active compounds across diverse environments. Conclusion Dandelion metabolites exhibit significant diversity, with significant differences in composition and abundance across different geographical origins. Both geographical environment and genetic origin (cultivated and wild varieties) play crucial roles in the accumulation of secondary metabolites, providing scientific basis for dandelion breeding, medicinal development, and quality control.

R286.2

河北省重点研发计划项目（21326355D）