Metabolomics and gene expression analysis reveal the accumulation patterns of phenylpropanoids and flavonoids in different colored-grain wheats (Triticum aestivum L.)

Colored-grain wheats have received increasing attention owing to their high nutritional values. In this study, we compared the metabolomes of four pigmented wheat cultivars with conventional yellow wheat using an ultra-performance liquid chromatography-electrospray ionization-tandem mass spectrometry (UPLC-ESI-MS/MS)-based metabolomics approach. A total of 711 metabolites were identified, and considerable differences were observed in the flavonoid and phenylpropanoid metabolites among five samples by orthogonal signal correction and partial least squares-discriminant analysis (OPLS-DA) analysis. These differential metabolites were significantly enriched in the “anthocyanin biosynthesis”, “flavones and flavonols biosynthesis”, and “flavonoids biosynthesis” pathways. Furthermore, the expression of 9 structural genes and 2 regulatory genes involved in flavonoid biosynthesis pathway were investigated by quantitative real-time PCR (qRT-PCR). Results suggested that blue, red, purple, and black wheat cultivars showed higher transcription levels of structural and regulatory genes in the flavonoid pathway than that of conventional yellow wheat, possibly accounting for the abundant anthocyanin accumulation in the grains of these four cultivars. This study laid a foundation for understanding the accumulation of flavonoids and coloration mechanisms in colored-grain wheats, and provides a theoretical basis for their sufficient utilization.