The major class of bioactive metabolites in Gymnema sylvestre, a popular Ayurvedic medicinal plant for the treatment of diabetes mellitus, is oleanane triterpenoids. In this study, a targeted, biosynthesis-inspired approach using UHPLC-qTOF/MS was implemented to elucidate the whole chemical profile of this plant for the standardization of the Vietnamese G. sylvestre variety. The known compounds were first determined to identify the building blocks of the biosynthetic intermediates and the construction rules for synthesizing oleanane triterpenoids in the plant. These blocks were recombined to build a virtual library of all reasonable compounds consistent with the deduced construction rules. Various techniques, including relative mass defect filtering, multiple key ion analysis, mass fragmentation analysis, and comparison with standard references, were applied to determine the presence of these predicted compounds. Conventional isolation and structure elucidation of six of the new compounds were carried out to identify the new building blocks and validate the assignments. Consequently, 119 peaks were quickly assigned to oleanane triterpenoids, and among them, 77 peaks were predicted to be new compounds based on their molecular formulas and mass fragmentation patterns. All the identified metabolites were then classified into different layers to analyze their logical relationships, and a multilayered chemical profile of the oleanane triterpenoids was constructed. This new approach is expected to be practical for characterizing structures of modular secondary metabolites, such as triterpenoid saponins, and for proposing biosynthetic relationships among compounds of the same class of metabolites in medicinal plants.

中文翻译：

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使用UHPLC-qTOF / MS，开发针对匙Strategy藤中齐墩果烷三萜类化合物的分类，鉴定和代谢物分析的构建基策略。

Gymnema sylvestre（一种用于治疗糖尿病的流行的印度草药）中的主要生物活性代谢物是齐墩果三萜。在这项研究中，使用UHPLC-qTOF / MS进行了有针对性的，以生物合成为灵感的方法，以阐明该植物的整个化学特征，从而实现了越南樟子松品种的标准化。首先确定已知化合物，以确定生物合成中间体的组成部分以及植物中合成齐墩果烷三萜类化合物的构造规则。将这些嵌段重组以建立与推导的构造规则一致的所有合理化合物的虚拟文库。各种技术，包括相对质量缺陷过滤，多关键离子分析，质量碎片分析以及与标准参考物的比较，应用于确定这些预测化合物的存在。对其中的六个新化合物进行了常规的分离和结构鉴定，以鉴定新的结构单元并验证分配。因此，迅速将119个峰分配给了齐墩果烷三萜类化合物，其中，根据它们的分子式和质量裂解模式，预测了77个峰为新化合物。然后将所有鉴定出的代谢物分类到不同的层中，以分析它们的逻辑关系，并构建了齐墩果烷三萜类化合物的多层化学特征。这种新方法有望用于表征模块化二级代谢物（如三萜皂苷）的结构，