目的 比较川木香煨制前后代谢物轮廓（metabolic profiling）差异，筛选出导致差异的特征性化学成分。方法 经HPLC-UV分析获得川木香生品、煨品的色谱图数据集；采用主成分分析（principal component analysis，PCA）、偏最小二乘法-判别分析（partial least square-discriminant analysis，PLS-DA）、聚类分析（hierarchical cluster analysis，HCA）等多变量统计分析方法比较川木香生品、煨品的代谢物轮廓差异及筛选导致差异的特征性化学成分。结果 川木香生品和煨品代谢物轮廓明显不同，导致差异的特征性化学成分有7个（包含木香烃内酯和去氢木香内酯）。结论 从代谢物轮廓角度，川木香煨制前后具有显著差异。

Objective To compare the metabolic profiling of Vladimiriae Radix (VR) before and after simmer processing and to screen out the characteristic constituents leading to some differences. Methods The chromatogram data sets of the processed and unprocessed VR were obtained by HPLC-UV analysis; The metabolic profiling differences of VR before and after processing were compared by principal component analysis, partial least square-discriminant analysis, and hierarchical cluster analysis, then the characteristic constituents were screened out. Results The metabolic profilings between processed and unprocessed VR were apparently different, and the data showed seven constituents among them mainly made the quality difference, including costunolide and dehydrocostus lactone. Conclusion The processed and unprocessed VR have the significant differences on the metabolic profiling.

国家自然科学基金青年基金项目（81001638）