DOI: 10.57760/sciencedb.nprd.00003
title: Non-targeted metabolomics of active components in petals from three distinct peony cultivars Dataset
title: 三种不同花色牡丹品种花瓣活性成分的非靶代谢组学数据集

description: Peony is a traditional floral plant in China, whose petals are rich in diverse nutrients and contain high levels of functional components, making it a novel food resource of significant application value. To investigate the characteristics and potential value of peony petals, ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) combined with non-targeted metabolomics was employed to identify the active components in the petals of three peony varieties with distinct flower colours (white Paeonia sufruticosa ‘Feng Dan’, yellow Paeonia lemoinei ‘High Noon’, and pink Paeonia sufruticosa ‘Ri Xiang’). Data processing and differential metabolite screening were conducted using principal component analysis and orthogonal partial least squares discriminant analysis. The study identified 1,256 metabolites categorised into 16 major groups. Lipids and lipoid molecules constituted the highest proportion (30.4%), followed by phenylpropanoids and polyketides (16.1%), benzenoids (12.4%), and others. Inter-varietal differential comparisons revealed 706 distinct compounds between ‘Feng Dan’ and ‘High Noon’,‘Feng Dan’ and ‘Ri Xiang’ exhibited 630 differential compounds, while ‘High Noon ’ and ‘Ri Xiang ’ showed 715 differences. These differential metabolites were primarily enriched in flavonoid and terpenoid metabolic pathways. Flavonoid metabolic analysis indicated significant upregulation of 23 flavonoids in ‘Feng Dan’, Astragaloside IV, kaempferol-3-O-triglycoside, and 23 other flavonoids were significantly upregulated.In ‘High Noon’, 8 flavonoids including genistein, kaempferol, and apigenin were upregulated, while in ‘Ri Xiang’, 12 flavonoids including rutin and apigenin were upregulated. Terpenoid metabolite analysis indicated upregulation of non-volatile terpenoids such as stevioside E and (-)-nobilin in ‘Feng Dan’. Among the 13 upregulated terpenoids in ‘Ri Xiang’, diterpenoids like (Z)-α-citralic acid and linalool predominated. In ‘High Noon’, terpenoids such as Congmunoside XIV, Taraxacolide 1-O- β -D-glucopyranoside, and linalool were identified. Ten distinct alkaloids were identified across the three peony cultivars, encompassing tropane alkaloids (tropine, pseudohyoscine), pyrrolidine alkaloids (colchicine, scopolamine hydrochloride), quinoline alkaloids (quinidine),  and other heterocyclic compounds (amaranthine, N-methylcupine B2).This dataset provides guidance for cultivating peony varieties rich in bioactive compounds and offers data support for analysing and evaluating the active components in petals of three distinct flower-coloured peony varieties.
description: Peony is a traditional floral plant in China, whose petals are rich in diverse nutrients and contain high levels of functional components, making it a novel food resource of significant application value. To investigate the characteristics and potential value of peony petals, ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) combined with non-targeted metabolomics was employed to identify the active components in the petals of three peony varieties with distinct flower colours (white Paeonia sufruticosa ‘Feng Dan’, yellow Paeonia lemoinei ‘High Noon’, and pink Paeonia sufruticosa ‘Ri Xiang’). Data processing and differential metabolite screening were conducted using principal component analysis and orthogonal partial least squares discriminant analysis. The study identified 1,256 metabolites categorised into 16 major groups. Lipids and lipoid molecules constituted the highest proportion (30.4%), followed by phenylpropanoids and polyketides (16.1%), benzenoids (12.4%), and others. Inter-varietal differential comparisons revealed 706 distinct compounds between ‘Feng Dan’ and ‘High Noon’,‘Feng Dan’ and ‘Ri Xiang’ exhibited 630 differential compounds, while ‘High Noon ’ and ‘Ri Xiang ’ showed 715 differences. These differential metabolites were primarily enriched in flavonoid and terpenoid metabolic pathways. Flavonoid metabolic analysis indicated significant upregulation of 23 flavonoids in ‘Feng Dan’, Astragaloside IV, kaempferol-3-O-triglycoside, and 23 other flavonoids were significantly upregulated.In ‘High Noon’, 8 flavonoids including genistein, kaempferol, and apigenin were upregulated, while in ‘Ri Xiang’, 12 flavonoids including rutin and apigenin were upregulated. Terpenoid metabolite analysis indicated upregulation of non-volatile terpenoids such as stevioside E and (-)-nobilin in ‘Feng Dan’. Among the 13 upregulated terpenoids in ‘Ri Xiang’, diterpenoids like (Z)-α-citralic acid and linalool predominated. In ‘High Noon’, terpenoids such as Congmunoside XIV, Taraxacolide 1-O- β -D-glucopyranoside, and linalool were identified. Ten distinct alkaloids were identified across the three peony cultivars, encompassing tropane alkaloids (tropine, pseudohyoscine), pyrrolidine alkaloids (colchicine, scopolamine hydrochloride), quinoline alkaloids (quinidine),  and other heterocyclic compounds (amaranthine, N-methylcupine B2).This dataset provides guidance for cultivating peony varieties rich in bioactive compounds and offers data support for analysing and evaluating the active components in petals of three distinct flower-coloured peony varieties.