This study aims to investigate the functional groups and phytochemical profile of Anacamptis coriophora seeds, tubers, and flowers. Symbiotic seedlings produced using the ex vitro method were transferred to their natural habitat and grown to analyze the functional groups and phytochemical profiles of tubers and flowers. The life cycles of the transferred seedlings were monitored, and tubers and flowers were harvested for analysis. ATR‐FTIR spectroscopy revealed the presence of functional groups such as polysaccharides, lignin, and proteins in both tubers and flowers. Differences in spectral frequencies between first‐year and second‐year tubers were observed. Fatty acid analysis identified 30 different compounds in seeds, flowers, and tubers, with linoleic acid being the most abundant (27% in seeds, 33% in tubers), and palmitic acid present in flowers (24%). GC‐MS analysis of ethanol extracts from these components highlighted the presence of 32 compounds, including hydroxyacetic acid, hydrazide, cytidine (Z)‐7‐hexadecenal, 2,2‐dimethoxyethane, 2,5,6‐trimethyldecane, and butanamide, 4‐amino‐N‐hydroxy. A. coriophora's tubers, flowers, and seeds may contain active metabolites with therapeutic potential. These results are valuable for the commercial cultivation of the plant.