Metabolomic fingerprint classification of <i>Brachychiton acerifolius</i> organs via UPLC-qTOF-PDA-MS analysis and chemometrics

<div><p><i>Brachychiton acerifolius</i>, or <i>Sterculia acerifolia</i> as formerly known, is a member of a genus reported for a myriad of bioactive compounds. Metabolome analysis of <i>B. acerifolius</i> – leaves, flowers and seeds – and quantification of its major compounds are demonstrated in this study. Metabolites were analysed via UPLC-PDA-qTOF-( ± ) ESI-MS and UPLC/ITMS, with a total of 56 metabolites characterised including 30 flavonoids, 2 anthocyanins, 6 phenolic acids (i.e. citric and hydroxycitric acid conjugates) and 8 fatty acids (FAs). Multivariate data analyses (i.e. principle component analysis and orthogonal partial least square-discriminate analysis) were applied to identify metabolite markers for each organ. Pelargonidin-<i>O</i>-glucoside and naringenin-<i>O</i>-glucuronide were found exclusively in flowers versus flavone enrichment in leaves (i.e. luteolin-<i>O</i>-glucuronide and apigenin-<i>O</i>-rhamnosyl glucuronide). Gas chromatography/mass spectrometry analysis revealed the presence of toxic cyclopropene FAs in seeds which may restrict its use. Antioxidant activity assessment for the three organs was performed in comparison with vitamin C as positive control. Leaves showed the highest activity (IC₅₀ 0.015<b> </b>mg/mL).</p></div