Determination of chemotypes and of their role in the polymorphism of populations is an important field in the research on secondary metabolites of plants. In the present study, by gas chromatography coupled with mass spectrometry, the composition of bark extracts from rowan S. aucuparia subsp. sibirica was determined for 16 trees growing within Akademgorodok of Novosibirsk, with bark samples collected both in winter and summer. Among 101 fully or partially identified metabolites, there are alkanes, alkenes, linear alcohols, fatty acids and their derivatives, phenols and their derivatives, prunasin and its parent and derivative compounds, polyprenes and their derivatives, cyclic diterpenes, and phytosterols. These compounds were grouped according to their biosynthesis pathways. Cluster analysis revealed two groups among the bark samples collected in winter and three groups among bark samples collected in summer. The key determinants of this clustering are the biosynthesis of metabolites via the cyanogenic pathway (especially potentially toxic prunasin) and their formation via the phytosterol pathway (especially potentially pharmacologically useful lupeol). It follows from the results that the presence of chemotypes having sharply different profiles of metabolites in a population from a small geographic area invalidates the practice of general sampling to obtain averaged data when a population is described. From the standpoint of possible industrial use or plant selection based on metabolomic data, it is possible to select specific sets of samples containing a minimal amount of potentially toxic compounds and the largest amount of potentially useful substances.

Common wheat (Triticum aestivum L.) is one of the most valuable cereal crops worldwide. This study examined leaf extracts of 30 accessions of T. aestivum and its subspecies using 48 h maceration with methanol by GC-MS and GCxGC-MS. The plants were grown from seeds of the wheat genetics collection of the Wheat Genetics Sector of the Institute of Cytology and Genetics, SB RAS. The analysis revealed 263 components of epicuticular waxes, including linear and branched alkanes, aliphatic alcohols, aldehydes, ketones, β-diketones, carboxylic acids and their derivatives, mono- and diterpenes, phytosterols, and tocopherols. Hierarchical cluster analysis and principal component analysis were used to identify and visualize the differences between the leaf extracts of different wheat cultivars. Three clusters were identified, with the leading components being (1) octacosan-1-ol, (2) esters of saturated and unsaturated alcohols, and (3) fatty acid alkylamides, which were found for the first time in plant extracts. The results highlight the importance of metabolic studies in understanding the adaptive mechanisms and increasing wheat resistance to stress factors. These are crucial for breeding new-generation cultivars with improved traits.

This study focuses on the investigation of lipophilic metabolites found in various organs of Sorbus aucuparia subsp. sibirica (leaves, exocarp, and seeds) using gas chromatography–mass spectrometry (GC-MS). The research aims to identify inter-organ differences in metabolic profiles and expand the understanding of the species’ metabolic plasticity. In leaf extracts, 72 compounds were identified, including saturated, unsaturated, and hydroxy-substituted fatty acids, alcohols, alkanes, and steroids. In the exocarp and seeds, 39 and 50 compounds belonging to the same classes were identified. Key compounds included linolenic acid, palmitic acid, and nonacosan-10-ol (ginnol), which plays a vital role in the protective functions of epicuticular waxes and demonstrates promising antibacterial and antioxidant properties. Principal component analysis (PCA) confirmed the presence of inter-organ differences, particularly pronounced in leaves, where local chemotypes were identified. These findings highlight the complex adaptive mechanisms and high metabolic plasticity of S. aucuparia subsp. sibirica. The results offer potential applications in pharmacognosy, chemotaxonomy, and the standardization of plant-derived raw materials.