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Accurate mass matching with a tolerance of ±5 ppm and MS/MS spectral similarity were used for annotation. Identifications were confirmed using authentic standards where available and otherwise reported as putative annotations."],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - alternating - reverse-phase"],"chromatography_protocol":["Chromatographic separation was performed using a Thermo Scientific UltiMate 3000 UHPLC system equipped with a Waters ACQUITY UPLC HSS T3 C18 column. A water–acetonitrile mobile phase containing 0.1% formic acid was used with gradient elution under controlled temperature, flow rate, and injection volume conditions optimized for isoflavonoid analysis."],"publication":["Discover the Maze-like Network for Glabridin Biosynthesis."],"submitter_name":["Zhen zhang"],"submitter_affiliation":["tsinghua university"],"organism_part":["root","leaf","stem"],"technology_type":["mass spectrometry"],"disease":[""],"extraction_protocol":["Dried plant materials were ground into coarse powder under liquid nitrogen and further disrupted using zirconia beads in a cryogenic bead mill. Accurately weighed samples were extracted with methanol and ethyl acetate using ultrasonic-assisted extraction. The combined extracts were concentrated, re-dissolved in methanol, filtered, and prepared for LC–MS analysis. Quality control samples were prepared by pooling equal aliquots of all extracts, and solvent blanks were prepared using extraction solvents without sample material."],"organism":["Glycyrrhiza"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13519"],"author":["Zhang Zhen. Tsinghua university. Tsinghua Campus, Haidian District, 100084, Beijing, P.R.China. z-zhang20@mails.tsinghua.edu.cn.","Li Chun. Tsinghua university. Tsinghua Campus, Haidian District, 100084, Beijing, P.R.China. lichun@tsinghua.edu.cn."],"data_transformation_protocol":["Raw LC–MS data were processed using Compound Discoverer 3.3 for peak detection, retention time alignment, and peak area integration. Peak areas were normalized to sample weight and used for relative comparison and visualization, including heatmap generation. No absolute quantification was performed."],"study_factor":["Organism","Species"],"submitter_email":["emaizxc@163.com"],"sample_collection_protocol":["Dried roots, stems and leaves of Glycyrrhiza glabra, and dried roots of Glycyrrhiza uralensis and Glycyrrhiza inflata were used in this study. Plant materials were collected from authenticated sources, air-dried, and stored at room temperature in a dry environment prior to analysis. No experimental treatments or time-course sampling were applied. Four independent biological replicates were prepared for each tissue type of G. glabra, and three independent biological replicates were prepared for the dried roots of G. uralensis and G. inflata."],"omics_type":["Metabolomics"],"study_design":["ultra-performance liquid chromatography-mass spectrometry","LC-MS data","untargeted metabolites","Orbitrap"],"curator_keywords":["ultra-performance liquid chromatography-mass spectrometry","LC-MS data","untargeted metabolites","Orbitrap"],"mass_spectrometry_protocol":["Mass spectrometric analysis was carried out on a Q Exactive Plus Orbitrap mass spectrometer equipped with a heated electrospray ionization source. Data were acquired in both positive and negative ionization modes using full-scan MS followed by data-dependent MS/MS acquisition with higher-energy collisional dissociation."],"metabolite_name":["4'-O-Methylglabridin","glabridin"],"additional_accession":[]},"is_claimable":false,"name":"Discover the Maze-like Pathway for Glabridin Biosynthesis","description":"<p>Glabridin is a bioactive isoflavan predominantly produced in&nbsp;Glycyrrhiza&nbsp;species and is of significant pharmacological and industrial interest. However, its biosynthetic pathway remains incompletely resolved due to the involvement of multiple branching reactions and poorly characterized enzymatic steps. In this study, we employed untargeted and targeted LC–MS-based metabolomics to systematically characterize intermediates and pathway dynamics associated with glabridin biosynthesis. Metabolite profiling was performed across plant tissues from multiple Glycyrrhiza species to capture pathway-associated metabolite variation. The resulting dataset provides comprehensive mass spectrometric evidence supporting a maze-like biosynthetic route toward glabridin formation and offers a valuable resource for pathway elucidation and specialized metabolism research.</p>","dates":{"publication":"2026-01-16","submission":"2025-12-16"},"accession":"MTBLS13519","cross_references":{}}