Abstract
The genus Iberis L. is mainly distributed in the Mediterranean basin, with Europe representing the primary center of diversity, while a limited number of species occur in Northwest Africa and Southwest to Central Asia. The genus is represented by ten taxa in Türkiye, including four endemic taxa: Iberis carica (Bornm.) Prain, Iberis halophila Vural & H. Duman, Iberis gypsicola Yıld. and Iberis saxatilis subsp. Magnesiana Oskay. Previous studies emphasized morphology and phylogeny, whereas comprehensive metabolomic and phytochemical analyses of the genus remain limited. In this study, plant materials from prior morphological and molecular analyses underwent LC-MS-based untargeted metabolomic profiling to provide complementary chemotaxonomic evidence and evaluate how closely metabolomic patterns align with other taxonomic datasets. A total of 149 LC–MS features were putatively annotated. Primary metabolites showed high conservation across taxa, whereas secondary metabolites displayed significant interspecific variation. Multivariate analyses revealed clear clustering patterns largely consistent with molecular phylogenies and morphological data. I. sempervirens, I. saxatilis, and I. odorata formed distinct groups, and the I. simplex complex structure was reflected in metabolite-based clustering. Furthermore, the enrichment of pathways like riboflavin and tryptophan metabolism highlights the interplay between core primary metabolism and specialized secondary metabolite diversification across the investigated taxa. Metabolite profiling of Turkish Iberis taxa, combined with morphological, anatomical, and phylogenetic data, provides a valuable complementary approach for exploring chemotaxonomic relationships and chemical evolution. The findings highlight the genus as a promising bioactive source and support integrating metabolomics with other taxonomic datasets to improve chemotaxonomic interpretations within Iberis.