Comparative study on metabolite variations of two rose teas by plant metabolomics and revealing their skin‐whitening candidates by spectrum–effect relationship analysis

Abstract Introduction Rosa rugosa var. plena Rehd (CBR) and Rosa chinensis cv. “JinBian” (JBR) are two common species used in rose tea among different original species. CBR, the officially documented original plant of the rose species for food and medicinal purposes, is more costly than JBR. With increasing demand for different rose teas, it is meaningful to compare the chemical constituents for their quality control and reveal their skin‐whitening components that will provide in‐depth insights for the expansion of the rose tea industry. Objective This study aims to reveal the chemical variances between CBR and JBR and determine their skin‐whitening components. Methodology A strategy obtained by combining MS‐based plant‐metabolomics with spectrum–effect relationship analysis has been proposed for unveiling chemical differences between CBR and JBR and further exploring their potential skin‐whitening components. Results A total of 2030 metabolites were found that revealed considerable differences between CBR and JBR. The results of bioactivity assay demonstrated that JBR exhibited stronger tyrosinase inhibition activity than CBR. Six potential skin‐whitening compounds (di‐ O ‐galloyl‐HHDP‐glucoside, tri‐ O ‐galloyl‐HHDP‐glucoside, spiraeoside, quinic acid, rugosin A, and 1,2,3,6‐tetra‐ O ‐galloyl‐glucose) were discovered as potential tyrosinase inhibitors, via spectrum–effect relationship analysis. This is the first time that di‐ O ‐galloyl‐HHDP‐glucoside, tri‐ O ‐galloyl‐HHDP‐glucoside, rugosin A, and 1,2,3,6‐tetra‐ O ‐galloyl‐glucose have been reported with tyrosinase inhibitory activity. Additionally, molecular docking analysis was used to reveal the inhibition mechanism of these compounds toward tyrosinase. Conclusion The finding of this study will be of great importance for the quality control of the two types of rose teas, and the revealed active ingredients will provide in‐depth insights for the expansion of the rose tea industry.