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J. Mol. Sci.","IJMS"],"abstract":"<jats:p>This study aimed to characterize the metabolomic profile of aqueous extracts of Hypericum perforatum (St. John\u2019s wort) commercial samples using 1H NMR spectroscopy, in order to evaluate their chemical composition as consumed in infusion form. Seven retail samples were extracted with water under conditions simulating tea preparation and analyzed using 1H NMR. Metabolite identification and quantification were performed with Chenomx\u00ae software, followed by multivariate statistical analyses including PCA and OPLS-DA. A total of 37 metabolites were identified, predominantly primary metabolites such as sugars (glucose, fructose), amino acids (glycine, asparagine), short-chain organic acids (malic, citric, and acetic acids), secondary metabolites (trigonelline, chlorogenic acid) and metabolism products (methanol, ethanol, acetic acid and acetone). Notably, key bioactive compounds traditionally associated with H. perforatum, such as hypericin and hyperforin, were not detected under the experimental conditions employed. Multivariate analyses revealed significant variability among samples, suggesting differences in composition likely related to origin, processing, or potential adulteration. These findings demonstrate that aqueous preparations of St. John\u2019s wort differ substantially from extracts used in clinical trials, being dominated by primary metabolism rather than specialized bioactive compounds. This has important implications for the interpretation of its therapeutic effects when consumed as tea. Furthermore, the study highlights the utility of NMR-based metabolomics as a robust tool for quality assessment and authentication of herbal products.<\/jats:p>","DOI":"10.3390\/ijms27156757","type":"journal-article","created":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T13:07:33Z","timestamp":1785244053000},"page":"6757","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Metabolomic Profile of Aqueous Extracts of Commercial Samples of St John\u2019s Wort (Hypericum perforatum) Determined by 1H NMR"],"prefix":"10.3390","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-5446-5501","authenticated-orcid":false,"given":"Erick Alejandro","family":"Herrera-Jurado","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica Org\u00e1nica, Escuela Nacional de Ciencias Biol\u00f3gicas, Instituto Polit\u00e9cnico Nacional, Prolongaci\u00f3n de Carpio y Plan de Ayala s\/n, Col. Santo Tomas, Alcald\u00eda Miguel Hidalgo, Mexico City 11340, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-1335-5257","authenticated-orcid":false,"given":"Estefan\u00eda de Jes\u00fas","family":"Ter\u00e1n-S\u00e1nchez","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Org\u00e1nica, Escuela Nacional de Ciencias Biol\u00f3gicas, Instituto Polit\u00e9cnico Nacional, Prolongaci\u00f3n de Carpio y Plan de Ayala s\/n, Col. Santo Tomas, Alcald\u00eda Miguel Hidalgo, Mexico City 11340, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8598-0516","authenticated-orcid":false,"given":"Elvia","family":"Becerra-Mart\u00ednez","sequence":"additional","affiliation":[{"name":"Centro de Nanociencias y Micro y Nanotecnolog\u00edas, Instituto Polit\u00e9cnico Nacional, Av. Luis Enrique Erro S\/N, Unidad Profesional Adolfo L\u00f3pez Mateos, Zacatenco, Delegaci\u00f3n Gustavo A. Madero, Mexico City 07738, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6637-8565","authenticated-orcid":false,"given":"Luis Gerardo","family":"Zepeda-Vallejo","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Org\u00e1nica, Escuela Nacional de Ciencias Biol\u00f3gicas, Instituto Polit\u00e9cnico Nacional, Prolongaci\u00f3n de Carpio y Plan de Ayala s\/n, Col. Santo Tomas, Alcald\u00eda Miguel Hidalgo, Mexico City 11340, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,7,28]]},"reference":[{"key":"ref_1","first-page":"1045","article-title":"Hypericum perforatum: Traditional uses, clinical trials, and drug interactions","volume":"25","author":"Nobakht","year":"2022","journal-title":"Iran. J. Basic Med. 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