UHPLC-QTOF-MS/MS Metabolomic Profiling Reveals Environmental, Morphological, and Taxonomic Drivers of Chemical Diversity in Neotropical Banisteriopsis and Stigmaphyllon

Banisteriopsis and Stigmaphyllon are among the most species-rich liana genera in the Neotropical Malpighiaceae family, known for their diverse chemical and biological activities. However, metabolomic information correlating these genera with their biome of occurrence, humidity levels, and plant habit (liana vs. shrub) remains limited. This study explored in detail the metabolomic profiles of 15 species (29 specimens) of Banisteriopsis and 26 species (35 specimens) of Stigmaphyllon using Partial Least Squares Discriminant Analysis (PLS-DA). Leaf extracts obtained with ethanol/water (4:1, v/v) were analyzed by Ultra Performance Liquid Chromatography coupled to Quadrupole Time-of-Flight Mass Spectrometry (UHPLC-QTOF-MS/MS). Comparative analyses were performed at the genus level and across biome, humidity, and plant habit variables. The UHPLC-MS/MS profiling enabled the annotation of compounds, including previously unreported metabolites identified in B. quadriglandula and S. saxicola. Shared metabolites between the two genera were also characterized. PLS-DA revealed discriminant metabolites associated with the different comparative parameters, notably glucose (plant habit), coumaroyl hexoside, myricetin-3-galactoside, quercetin (genus), and quercetin-3-O-robinobioside (environment). With 95% confidence, our results demonstrate that environmental and morphological factors significantly influence metabolite biosynthesis in Banisteriopsis and Stigmaphyllon, providing valuable insights for future phytochemical and ecological research in the Neotropics.