The infusion color and taste serve as pivotal benchmarks reflecting the quality of tea, yet the specific compounds responsible for the distinctive color and taste of the NanLuShuiXian (NLSX) tea infusion remain unknown. In this study, colorimetry, spectroscopy, and quantitative descriptive analysis (QDA) were employed to quantify the color and taste of 10 NLSX tea infusions. Furthermore, metabolomics techniques combined with correlation analysis were used to identify the key color and taste compounds and explore the relationship among color, taste, and compounds in NLSX tea infusion. The results showed that a total of 78 compounds were identified. It was observed that both the color and taste features of NLSX tea infusion and its metabolites exhibited certain patterns of variation. Within a certain range, heightened concentrations of carthamidin diglucoside isomer 2, theanine, and quercetin 3-O-caffeyl-glucoside within NLSX correlate inversely with the levels of 4'-methyl-epigallocatechin, ellagic acid, quercetin, camellikaempferoside C isomer 1, and chicoric acid. This competitive relationship among metabolites corresponded to a lighter infusion color and a fresher and sweeter taste. Conversely, decreased carthamidin diglucoside isomer 2, theanine, and quercetin 3-O-caffeyl-glucoside in NLSX will lead to a deeper infusion color and diminish taste quality.