目的 探讨以生物合成途径结合高分辨液质联用技术，为近亲缘稀少植物星毛冠盖藤自建成分数据库，实现其化学成分的快速发现。方法 以星毛冠盖藤为研究对象，根据京都基因与基因组百科全书（Kyoto encyclopedia of genes and genomes，KEGG）生物合成基因挖掘、BioNavi-NP生物逆合成预测及同属植物化学成分研究等手段获得星毛冠盖藤中潜在的化学成分，并自建成分数据库。将自建成分数据库与高分辨质谱数据进行比对，统计整理满足质量误差小于6×10⁻⁶的化合物，对其进行裂解规律分析及二级碎片离子比对。对鉴定得到的未知化合物采用reaxys网站进行检索。结果 星毛冠盖藤转录组Unigenes次生代谢KEGG通路主要包括苯丙素生物合成、氨酰-tRNA生物合成、N-聚糖生物合成及萜类骨架生物合成等通路；从瑶药星毛冠盖藤中快速鉴定出76个成分，其中包括1个香豆素类新化合物。结论 以生物合成关联性结合LC-MS技术，能快速高效、低成本的对瑶药星毛冠盖藤中潜在的化学成分进行分析鉴定，一定程度上解决近亲缘稀少植物药的化学成分库建库难的问题，为植物药的化学成分快速发现提供一种新思路及方法。

Objective To establish a component database for close relative lacking plants Pileostegia tomentella, and achieve rapid discovery of its chemical components by biosynthetic association and LC-MS. Methods Taking P. tomentella as the research object, the potential chemical components of P. tomentella were obtained by means of KEGG biosynthesis gene mining, BioNavi NP reverse biosynthesis prediction, and Phytochemistry component research of the same genus, and the component database was built. Compare the self built composition database with high-resolution mass spectrometry data, and statistically organize compounds with quality errors less than 6×10⁻⁶, their fragmentation patterns were analyzed and secondary fragments ions were compared. The unknown compounds were identified using the reaxys website. Results The KEGG pathway of secondary metabolism of unigenes in the transcriptome of P. tomentella mainly includes phenylpropanoids biosynthesis, aminoacyl tRNA biosynthesis, N-glycan biosynthesis and terpene skeleton biosynthesis. 76 components were identified from the P. tomentella, including a new coumarin compound. Conclusion The potential chemical components in P. tomentella can be quickly, efficiently, and low-cost analyzed and indentified by combining biosynthetic correlation with LC-MS technology, which to some extent solves the problem of difficulty in building a chemical component library of close relative lacking plant drugs, and provides a new approach and method for rapid discovery of chemical components in plant drugs.

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广西自然科学基金面上项目(2024GXNSFAA010279);广西科技计划项目(桂科AD17195002);广西自然科学基金面上项目(2020GXNSFAA259067);广西中医药适宜技术开发与推广项目(GZSY20-04)