Comprehensive metabolite profile of multi-bioactive extract from tree peony (Paeonia ostii and Paeonia rockii) fruits based on MS/MS molecular networking

Tree peony seed, traditionally used for edible oil production, is rich in α-linolenic acid. However, little attention is given to the fruit by-products during seed oil production. The present work aimed to comprehensively investigate the phytochemical constituents and multiple biological activities of different parts of tree peony fruits harvested from Paeonia ostii and Paeonia rockii. 130 metabolites were rapidly identified through UPLC-Triple-TOF-MS on the basis of MS/MS molecular networking. Metabolite quantification was performed through the targeted approach of HPLC-ESI-QQQ-MS. Eight chemical markers were screened via principal component analysis (PCA) for distinguishing species and tissues. Interestingly, two dominant compounds, paeoniflorin and trans-resveratrol, are specially localized in seed kernel and seed coat, respectively. Unexpectedly, the extracts of fruit pod and seed coat showed significantly stronger antioxidant, antibacterial, and anti-neuroinflammatory activities than seed kernel from both P. ostii and P. rockii. Our work demonstrated that tree peony fruit is promising natural source of bioactive components and provided its potential utilization in food and pharmaceutical industries.