基于代谢组学和特征分子网络揭示会理石榴主要代谢物特征

doi:10.7506/spkx1002-6630-20251202-023

食品科学 ›› 2026, Vol. 47 ›› Issue (12): 205-215.doi: 10.7506/spkx1002-6630-20251202-023

• 成分分析 • 上一篇

基于代谢组学和特征分子网络揭示会理石榴主要代谢物特征

黄亚兰，杨文渊，赵驰，汤奥星，张凤菊，董玲，李治华，朱永清，杜禹峰，谢红江，李琪

（1.四川师范大学生命科学学院，四川成都 610101；2.四川省农业科学院农产品加工研究所（四川省农业科学院食物与营养健康研究所），四川成都 610066；3.四川省农业科学院园艺研究所，四川成都 610066）

发布日期:2026-07-08
基金资助:
“十四五”国家重点研发计划项目（2021YFD1600804）；四川省农科院中试熟化项目（2025ZSSFTP30）

Metabolomics Combined with Feature-Based Molecular Networking to Reveal the Main Metabolite Characteristics of Pomegranates Grown in Huili

HUANG Yalan, YANG Wenyuan, ZHAO Chi, TANG Aoxing, ZHANG Fengju, DONG Ling, LI Zhihua, ZHU Yongqing, DU Yufeng, XIE Hongjiang, LI Qi

(1. College of Life Sciences, Sichuan Normal University, Chengdu 610101, China; 2. Institute of Agro-Products Processing Science and Technology, Sichuan Academy of Agricultural Sciences (Institute of Food and Nutrition Health Research, Sichuan Academy of Agricultural Sciences), Chengdu 610066, China; 3. Horticulture Research Institute, Sichuan Academy of Agricultural Sciences, Chengdu 610066, China)

Published:2026-07-08

摘要/Abstract

摘要： 本研究基于超高效液相色谱-四极杆-飞行时间串联质谱结合特征分子网络（feature-based molecular networking，FBMN）技术，分析会理产区6 个主要石榴品种的代谢物特征。通过偏最小二乘判别分析（partial least square-discriminant analysis，PLS-DA）筛选品种间的差异代谢物，并构建其与果实色泽和感官特性的相关性矩阵，从而解析导致品种间差异的化学物质基础。结果表明，共鉴定出111 种代谢物，其中苯丙素和聚酮类化合物占37.80%，脂质和类脂分子占23.42%，有机酸及其衍生物占12.61%，有机氧化合物占8.11%，苯类化合物占7.21%，核苷及核苷酸衍生物占7.21%，其他化合物占3.60%。进一步，基于PLS-DA共筛选出68 种差异代谢物，其中，金珠香妃和突尼斯软籽石榴中矢车菊素-3,5-二-O-葡萄糖苷等色素的离子强度较高，且与果实红色度呈正相关；此外，突尼斯软籽和金珠香妃石榴中甜味相关有机氧化合物的离子强度较高，而以色列酸则富含柠檬酸等酸涩成分。金珠香妃中木犀草素-4’-O-葡萄糖苷和槲皮素-4’-O-葡萄糖苷等黄酮类成分的离子强度较高，具有潜在的生物活性。本研究从代谢组学层面解析了不同石榴品种品质特征的代谢物质基础及其关联，可为特色功能性石榴品种的选育和开发提供数据支撑。

关键词: 石榴；代谢组学；感官特性；差异代谢物；超高效液相色谱-四极杆-飞行时间串联质谱；基于特征分子网络

Abstract: In this study, the metabolite characteristics of six major pomegranate varieties grown in Huili were analyzed using ultra-high performance liquid chromatography-quadrupole time-of-flight-tandem mass spectrometry (UPLC-Q-TOF-MS/MS) combined with feature-based molecular networking (FBMN). Partial least square-discriminant analysis (PLS-DA) was used to screen for differential metabolites among cultivars, and a correlation matrix between these metabolites and fruit color and sensory characteristics was constructed to identify the chemical basis of cultivar differences. The results showed that a total of 111 metabolites were identified, including phenylpropanoids and polyketides (37.80%), lipids and lipid-like molecules (23.42%), organic acids and derivatives (12.61%), organic oxygen compounds (8.11%), benzenoids (7.21%), nucleosides and nucleotide derivatives (7.21%), and other compounds (3.60%). Furthermore, a total of 68 differential metabolites were selected, among which the ion intensities of cyanidin-3,5-di-O-glucoside and other pigments in ‘Jinzhuxiangfei’ and ‘Tunisian soft-seed’ were high and positively correlated with fruit redness. In addition, the ion intensities of sweetness-related organic oxygen compounds were high in ‘Tunisian soft-seed’ and ‘Jinzhuxiangfei’, while ‘Israeli sour’ was rich in citric acid and other sour and astringent components. The ion intensities of flavonoids such as luteolin-4’-O-glucoside and quercetin-4’-O-glucoside in ‘Jinzhuxiangfei’ were high, indicating potential bioactivity. These findings provide data support for the breeding and development of characteristic functional pomegranate varieties.

Key words: pomegranate; metabolomics; sensory properties; differential metabolites; ultra-high performance liquid chromatography-quadrupole-time-of-flight tandem mass spectrometry; feature-based molecular networking

中图分类号:

TSS255

黄亚兰，杨文渊，赵驰，汤奥星，张凤菊，董玲，李治华，朱永清，杜禹峰，谢红江，李琪. 基于代谢组学和特征分子网络揭示会理石榴主要代谢物特征[J]. 食品科学, 2026, 47(12): 205-215 https://doi.org/10.7506/spkx1002-6630-20251202-023

HUANG Yalan, YANG Wenyuan, ZHAO Chi, TANG Aoxing, ZHANG Fengju, DONG Ling, LI Zhihua, ZHU Yongqing, DU Yufeng, XIE Hongjiang, LI Qi. Metabolomics Combined with Feature-Based Molecular Networking to Reveal the Main Metabolite Characteristics of Pomegranates Grown in Huili[J]. FOOD SCIENCE, 2026, 47(12): 205-215 https://doi.org/10.7506/spkx1002-6630-20251202-023

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基于代谢组学和特征分子网络揭示会理石榴主要代谢物特征

Metabolomics Combined with Feature-Based Molecular Networking to Reveal the Main Metabolite Characteristics of Pomegranates Grown in Huili

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