<HashMap><database>MetaboLights</database><file_versions><headers><Content-Type>application/xml</Content-Type></headers><body><files><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14298/m_MTBLS14298_LC-MS_positive_reverse-phase_v2_maf.tsv</Tabular><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14298/m_MTBLS14298_LC-MS_negative_reverse-phase_v2_maf.tsv</Tabular><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14298/a_MTBLS14298_LC-MS_negative_reverse-phase.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14298/s_MTBLS14298.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14298/a_MTBLS14298_LC-MS_positive_reverse-phase.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14298/i_Investigation.txt</Txt></files><type>primary</type></body><statusCode>OK</statusCode><statusCodeValue>200</statusCodeValue></file_versions><scores/><additional><ftp_download_link>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14298</ftp_download_link><metabolite_identification_protocol>&lt;p>Kyoto Encyclopedia of Genes and Genomes (KEGG) is the major public pathway related database that includes not only genes but metabolites. Metabolites were mapped to KEGG metabolic pathways for annotation and enrichment analysis. Pathway enrichment analysis identified significantly enriched metabolic pathways or signal transduction pathways in differential metabolites comparing with the whole background. Metabolic Set Enrichment Analysis (MSEA) was also used to evaluate for pathway over-representation using the MetaboAnalyst module. The Small Molecule Pathway Database (SMPDB) library was used for the analysis, and Fisher's exact test for the over representation analysis (ORA) by R package MSEAp (https://rdrr.io/github/afukushima/MSEAp/).&lt;/p></metabolite_identification_protocol><repository>MetaboLights</repository><study_status>Public</study_status><ptm_modification></ptm_modification><instrument_platform>Liquid Chromatography MS - negative - reverse-phase</instrument_platform><instrument_platform>Liquid Chromatography MS - positive - reverse-phase</instrument_platform><chromatography_protocol>&lt;p>Analysis was performed were performed using an UHPLC system (Vanquish, Thermo Fisher Scientific) with a Phenomenex Kinetex C18 (2.1 mm × 100 mm, 2.6 μm) coupled to Orbitrap Exploris 120 mass spectrometer (Orbitrap MS, Thermo). The mobile phase A:0.01% acetic acid in water; mobile phase B:IPA:ACN (1:1,v/v). Column temperature, 25 . The auto-sampler temperature was 4 , and the injection volume was 2 μL.The chromatographic gradient elution program was as follows: Initially, the mobile phase was held at 99% A and 1% B for 0.5 min, followed by a linear increase to 99% B over 3.5 min (0.5–4.0 min). This ratio (1% A / 99% B) was maintained for an additional 0.5 min (4.0–4.5 min),&lt;/p>&lt;p>&lt;br>&lt;/p>&lt;p>after which the gradient returned to the initial conditions (99% A / 1% B) within 0.05 min (4.5–4.55 min) and was held for 1.45 min (4.55–6.0 min) with a flow rate of 0.4 mL/min. A 6.0 min re-equilibration period was applied to stabilize the system.&lt;/p></chromatography_protocol><publication>Non-targeted metabolomics analysis of the effect of strain MR-86 on the rhizosphere soil metabolome of Saposhnikovia divaricata under different disease severity levels.</publication><submitter_affiliation>Jilin Agricultural University</submitter_affiliation><submitter_name>Yanzhe Ding</submitter_name><organism_part>soil</organism_part><technology_type>mass spectrometry assay</technology_type><disease></disease><extraction_protocol>&lt;p>The sample (100 mg ± 1 mg) was accurately weighed into a 2.0 mL EP tube using an analytical balance. Homogenization grinding beads (2 beads) and 1000 μL of extraction solution were added, followed by vortexing for 30 s. The mixture was homogenized at 35 Hz for 4 min, transferred to an ice-water bath for 5 min of ultrasonication, and this homogenization-ultrasonication cycle was repeated three times. Subsequently, the sample was incubated at -40°C for 1 h, centrifuged at 4°C (12,000 rpm, 13,800 ×g, radius 8.6 cm) for 15 min, and the supernatant was transferred to an injection vial for machine detection. For quality control (QC), 10 μL of the supernatant from each sample (when the sample size was 12) was pooled into a composite QC sample.&lt;/p></extraction_protocol><organism>Saposhnikovia divaricata</organism><full_dataset_link>https://www.ebi.ac.uk/metabolights/MTBLS14298</full_dataset_link><author>Yanzhe Ding. Jilin Agricultural University. ding18043426173@outlook.com.</author><author>Zhongming Han. Jilin Agricultural University. hanzm2008@126.com.</author><data_transformation_protocol>&lt;p>The raw MS data were converted to MzXML files using ProteoWizard MSConvert before importing into freely available XCMS software. The raw data were preprocessed through a systematic pipeline: First, feature-level quality control was applied to filter out unreliable signals. Specifically, individual features with high variability (assessed by relative standard deviation, RSD/CV) were excluded to reduce technical noise. Subsequently, missing value filtering was performed to retain only those features meeting strict completeness criteria: peaks with 50% missing values within any experimental group or across all groups were preserved. For the remaining missing values, a semi-quantitative imputation strategy was adopted, where the null entries were replaced by half of the minimum detectable value per feature using numerical simulation. Finally, data normalization using total peak area.&lt;/p></data_transformation_protocol><study_factor>Group</study_factor><submitter_email>ding18043426173@outlook.com</submitter_email><sample_collection_protocol>&lt;p>According to the classification standard for S. divaricata root rot disease severity, rhizosphere soil samples of the S. divaricata were collected from each treatment group. Gently remove the root system of the S. divaricata and shake it to remove the loosely attached non-rhizosphere soil. Then collect the soil still adhering to the root surface as rhizosphere soil samples, and use sterile forceps to remove the root system to collect the rhizosphere soil. Some of the rhizosphere soil was stored at -80°C for metabolite detection.&lt;/p></sample_collection_protocol><omics_type>Metabolomics</omics_type><study_design>Thermo Scientific Vanquish UHPLC System</study_design><study_design>Saposhnikovia divaricata</study_design><study_design>S. divaricata</study_design><study_design>metabolomics</study_design><study_design>untargeted analysis</study_design><study_design>70-1200</study_design><study_design>Thermo Scientific Orbitrap Exploris 120</study_design><study_design>Soil</study_design><curator_keywords>Thermo Scientific Vanquish UHPLC System</curator_keywords><curator_keywords>Saposhnikovia divaricata</curator_keywords><curator_keywords>S. divaricata</curator_keywords><curator_keywords>metabolomics</curator_keywords><curator_keywords>untargeted analysis</curator_keywords><curator_keywords>70-1200</curator_keywords><curator_keywords>Thermo Scientific Orbitrap Exploris 120</curator_keywords><curator_keywords>Soil</curator_keywords><mass_spectrometry_protocol>&lt;p>The Orbitrap Exploris 120 mass spectrometer was used for its ability to acquire MS/MS spectra on information-dependent acquisition (IDA) mode in the control of the acquisition software (Xcalibur, Thermo). In this mode, the acquisition software continuously evaluates the full scan MS spectrum. The ESI source conditions were set as following: sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb, capillary temperature 320, Sweep Gas: 1 Arb, Vaporizer Temp: 350, full MS resolution as 60000, MS/MS resolution as 15000, collision energy: SNCE 20/30/40, spray voltage as 3.8 kV (positive) or -3.4 kV (negative), respectively, Scan range: 70-1200 Da.&lt;/p></mass_spectrometry_protocol><metabolite_name>16-Hydroxypalmitic acid</metabolite_name><metabolite_name>(2S,3S,9R,13R,14S,16R)-17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hexyl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one</metabolite_name><metabolite_name>1,1,1,1-Kestohexaose</metabolite_name><metabolite_name>Paullinic acid</metabolite_name><metabolite_name>2,5-Di-tert-butylhydroquinone</metabolite_name><metabolite_name>agnuside</metabolite_name><metabolite_name>4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyl-dodeca-2,6,10-trienyl]benzoic acid</metabolite_name><metabolite_name>aurapten</metabolite_name><metabolite_name>[(2S,3R,4R,5S,6S)-4-acetoxy-5-hydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyl-tetrahydropyran-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate</metabolite_name><metabolite_name>[(2R,3R,4R,5R,6S)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxy-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate</metabolite_name><metabolite_name>4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-benzo[f][2]benzofuran-3-one</metabolite_name><metabolite_name>Tiliroside</metabolite_name><metabolite_name>(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3R,4S,5R,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid</metabolite_name><metabolite_name>5-Hydroxyvalproic acid</metabolite_name><metabolite_name>(Z)-9,12,13-trihydroxyoctadec-15-enoic acid</metabolite_name><metabolite_name>ethyl octanoate</metabolite_name><metabolite_name>3-hydroxy-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one</metabolite_name><metabolite_name>(E)-4-[3-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2-methylbut-2-enoic acid</metabolite_name><metabolite_name>FA 18:2+O</metabolite_name><metabolite_name>Nodakenin</metabolite_name><metabolite_name>Tetracosanoic acid</metabolite_name><metabolite_name>3-[7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzofuran-5-yl]propanoic acid</metabolite_name><metabolite_name>1-[2-(2,3-dihydroxypropoxy)-2-oxo-ethyl]heptyl 3-hydroxynonanoate</metabolite_name><metabolite_name>Grayanotoxin I</metabolite_name><metabolite_name>Isovanillin</metabolite_name><metabolite_name>2-hydroxy-6-[(E)-8-hydroxypentadec-5-enyl]benzoic acid</metabolite_name><metabolite_name>juglone</metabolite_name><metabolite_name>(Z)-2-octylpent-2-enedioic acid</metabolite_name><metabolite_name>5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-9,16-diol</metabolite_name><metabolite_name>9-Oxooctadecanoic acid</metabolite_name><metabolite_name>(1R,2R,4S,16R,17R,20S)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one</metabolite_name><metabolite_name>20-Deoxyingenol</metabolite_name><metabolite_name>Octadecanedioic acid</metabolite_name><metabolite_name>13(S)-HpODE</metabolite_name><metabolite_name>HYPOCRELLIN B</metabolite_name><metabolite_name>physalin F</metabolite_name><metabolite_name>Ursolic acid</metabolite_name><metabolite_name>alpha,beta-Dihydroresveratrol</metabolite_name><metabolite_name>3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione</metabolite_name><metabolite_name>Undecanoic acid</metabolite_name><metabolite_name>5-O-Methylvisammioside</metabolite_name><metabolite_name>Ethyl glucuronide</metabolite_name><metabolite_name>(-)-Hydroxycitric acid lactone</metabolite_name><metabolite_name>9-cis-Retinoic acid</metabolite_name><metabolite_name>13,17-dihydroxy-6-[1-(hydroxymethyl)vinyl]-16-methoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one</metabolite_name><metabolite_name>(3Z)-octadeca-3,17-dien-12,14-diyne-1,2,16-triol</metabolite_name><metabolite_name>3-Hydroxyvaleric acid</metabolite_name><metabolite_name>[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate</metabolite_name><metabolite_name>Phosphate</metabolite_name><metabolite_name>Glutaric acid</metabolite_name><metabolite_name>(2S,3R,10R,13R,14S)-17-[(1R,2R,4S)-1,2-dihydroxy-1,4,5-trimethyl-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one</metabolite_name><metabolite_name>Diferuloyl glycerol</metabolite_name><metabolite_name>(E)-6-(1,3-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-hept-2-enoic acid</metabolite_name><metabolite_name>Parishin E</metabolite_name><metabolite_name>(2S,3S,4aS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one</metabolite_name><metabolite_name>PI(18:1/18:1)</metabolite_name><metabolite_name>5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one</metabolite_name><metabolite_name>Pentadecanoic acid</metabolite_name><metabolite_name>9-HPODE</metabolite_name><metabolite_name>8-hydroxy-9E,11Z,14Z-icosatrienoic acid</metabolite_name><metabolite_name>(4aS)-6,7-dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one</metabolite_name><metabolite_name>(E)-4-hydroxynon-2-enoic acid</metabolite_name><metabolite_name>Xylobiose</metabolite_name><metabolite_name>(5E)-2-heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one</metabolite_name><metabolite_name>3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-(1-hydroxy-1-methyl-ethyl)cyclohexene-1-carbonyl]oxymethyl]tetrahydropyran-2-yl]oxy-benzoic acid</metabolite_name><metabolite_name>3-(3-hydroxyoctanoyloxy)octanoic acid</metabolite_name><metabolite_name>Terephthalic-Acid</metabolite_name><metabolite_name>Caffeic acid</metabolite_name><metabolite_name>Arjunolic acid</metabolite_name><metabolite_name>3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxychromen-4-one</metabolite_name><metabolite_name>Arabinonic acid</metabolite_name><metabolite_name>2-Hydroxypalmitic acid</metabolite_name><metabolite_name>2-Methylcaproic acid</metabolite_name><metabolite_name>Pantothenic acid</metabolite_name><metabolite_name>Rhein</metabolite_name><metabolite_name>(S)-3,4-Dihydroxybutyric acid (lithium hydrate)</metabolite_name><metabolite_name>10-Undecenoic acid</metabolite_name><metabolite_name>TRICOSANOIC ACID</metabolite_name><metabolite_name>18¦Á-Glycyrrhetinic acid</metabolite_name><metabolite_name>Hamaudol</metabolite_name><metabolite_name>3-Hydroxydecanoic acid</metabolite_name><metabolite_name>Pristanic acid</metabolite_name><metabolite_name>6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one</metabolite_name><metabolite_name>Erucic acid</metabolite_name><metabolite_name>(1R,2R,6R,9R)-2,11,11-trimethyl-3-oxo-tricyclo[4.3.2.01,5]undecane-9-carboxylic acid</metabolite_name><metabolite_name>Caprylic acid</metabolite_name><metabolite_name>3,15-dihydroxyhexadecanoic acid</metabolite_name><metabolite_name>Tubuloside A</metabolite_name><metabolite_name>3-hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid</metabolite_name><metabolite_name>3-[(1S,2S,4aS,7S,8aR)-4,7-dimethyl-1-[(E)-prop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one</metabolite_name><metabolite_name>(3S,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol</metabolite_name><metabolite_name>4-Allylcatechol</metabolite_name><metabolite_name>2-[(2R,4aR,5R,8S)-4a,8-dimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid</metabolite_name><metabolite_name>Hexadecanedioic acid</metabolite_name><metabolite_name>Phthalic acid</metabolite_name><metabolite_name>trans-2-Octenoic acid</metabolite_name><metabolite_name>3-Hydroxyacetophenone</metabolite_name><metabolite_name>Methyl 3,4,5-trimethoxycinnamate</metabolite_name><metabolite_name>trans-Zeatin</metabolite_name><metabolite_name>Furostane base -2H + O-Hex, O-Hex-dHex-dHex</metabolite_name><metabolite_name>Dihydrojasmonic Acid</metabolite_name><metabolite_name>Deacetylgedunin</metabolite_name><metabolite_name>(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol</metabolite_name><metabolite_name>[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</metabolite_name><metabolite_name>Myristic acid</metabolite_name><metabolite_name>5-Oxooctanoic acid</metabolite_name><metabolite_name>Digitoxin</metabolite_name><metabolite_name>5-[(1E,3E)-hepta-1,3-dienyl]-1,2,3-trihydroxy-cyclopentanecarboxylic acid</metabolite_name><metabolite_name>Brassicin</metabolite_name><metabolite_name>Pivmecillinam (hydrochloride)</metabolite_name><metabolite_name>Sulfaphenazole</metabolite_name><metabolite_name>bungeiside C</metabolite_name><metabolite_name>gamma-Linolenic acid</metabolite_name><metabolite_name>5-[2-(3,4-dihydroxy-2,5-dimethoxy-tetrahydrofuran-3-yl)ethyl]-5,6,8a-trimethyl-spiro[decalin-1,2'-oxirane]-2,3-diol</metabolite_name><metabolite_name>[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</metabolite_name><metabolite_name>5Z,8Z,11Z-Eicosatrienoic acid</metabolite_name><metabolite_name>Pivagabine</metabolite_name><metabolite_name>3-hydroxybenzaldehyde</metabolite_name><metabolite_name>Benzoic acid + 2O, O-Hex</metabolite_name><metabolite_name>Pristimerin</metabolite_name><metabolite_name>LPE(18:1(9Z)/0:0)</metabolite_name><metabolite_name>Olivetol</metabolite_name><metabolite_name>5,7-dihydroxy-2-methoxy-chromen-4-one</metabolite_name><metabolite_name>3,7-Dimethyluric acid</metabolite_name><metabolite_name>2-[2-[(2R,8aR)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol</metabolite_name><metabolite_name>Atractyloside A</metabolite_name><metabolite_name>Plumbagin</metabolite_name><metabolite_name>Pimobendan</metabolite_name><metabolite_name>Tetradecyl sulfate (sodium)</metabolite_name><metabolite_name>5-(2-hydroxy-4-methylphenyl)-6-methylheptan-2-one</metabolite_name><metabolite_name>Prim-O-glucosylcimifugin</metabolite_name><metabolite_name>2,3',4,6-Tetrahydroxybenzophenone</metabolite_name><metabolite_name>5,7-Dihydroxy-4-methylcoumarin</metabolite_name><metabolite_name>3-(2,3-dihydroxy-5-methyl-phenoxy)-5-methyl-benzene-1,2-diol</metabolite_name><metabolite_name>Glutaconic acid</metabolite_name><metabolite_name>Pyruvate</metabolite_name><metabolite_name>4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one</metabolite_name><metabolite_name>N-Acetyltryptophan</metabolite_name><metabolite_name>Uric acid</metabolite_name><metabolite_name>Linoleic acid</metabolite_name><metabolite_name>2-hydroxydodecanoic acid</metabolite_name><metabolite_name>Citreorosein</metabolite_name><metabolite_name>8-hydroxy-9-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-4-oxatricyclo[6.2.1.01,5]undecan-3-one</metabolite_name><metabolite_name>[(1S,2S,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate</metabolite_name><metabolite_name>(-)-Epicatechingallate</metabolite_name><metabolite_name>1-hydroxy-10-isopropyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione</metabolite_name><metabolite_name>Matairesinol</metabolite_name><metabolite_name>Heptadecanoic acid</metabolite_name><metabolite_name>5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)tetrahydropyran-4-yl]oxy-3-hydroxy-3-methyl-5-oxo-pentanoic acid</metabolite_name><metabolite_name>(1S,4S,5R,9S,10R,13R,14R)-5-(acetoxymethyl)-14-(hydroxymethyl)-9-methyl-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid</metabolite_name><metabolite_name>naphthalene-1,3-diol</metabolite_name><metabolite_name>Phenylpyruvic acid</metabolite_name><metabolite_name>Sucrose</metabolite_name><metabolite_name>7-Hydroxydihydrobotrydial</metabolite_name><metabolite_name>Stearidonic acid</metabolite_name><metabolite_name>4,4,8-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde</metabolite_name><metabolite_name>Cytidine triphosphate (CTP)</metabolite_name><metabolite_name>Mannose</metabolite_name><metabolite_name>Tetradecanedioic acid</metabolite_name><metabolite_name>Traumatic acid</metabolite_name><metabolite_name>(12S,12aS,12bR)-4,9,12,12b-tetrahydroxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione</metabolite_name><metabolite_name>12,15-Dihydroxy-13-methylhexadecanoic acid</metabolite_name><metabolite_name>(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid</metabolite_name><metabolite_name>7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol</metabolite_name><metabolite_name>methyl 2-[(4,6-dihydroxy-1-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)oxy]-3-formyl-4-hydroxy-6-methylbenzoate</metabolite_name><metabolite_name>Phytanic acid</metabolite_name><metabolite_name>(1R,3R,6R,8S,10R,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione</metabolite_name><metabolite_name>(10Z,13Z)-15,16-dihydroxyoctadeca-10,13-dienoic acid</metabolite_name><metabolite_name>4-hydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-6-methoxy-2-pentylbenzoic acid</metabolite_name><metabolite_name>Pachyrrhizin</metabolite_name><metabolite_name>8-(2-hexylcyclopropyl)octanoic acid</metabolite_name><metabolite_name>Ethyl 3-hydroxybenzoate</metabolite_name><metabolite_name>hexyl hexanoate</metabolite_name><metabolite_name>Esculin</metabolite_name><metabolite_name>Nervonic acid</metabolite_name><metabolite_name>Allopurinol-1-ribonucleoside</metabolite_name><metabolite_name>4-tert-Octylphenol</metabolite_name><metabolite_name>2-Ketobutyric acid</metabolite_name><metabolite_name>[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxo-tetrahydrofuran-3-yl)propoxy]tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</metabolite_name><metabolite_name>Roflumilast</metabolite_name><metabolite_name>14,16-dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one</metabolite_name><metabolite_name>Octanoylcarnitine (Car(8:0))</metabolite_name><metabolite_name>4-(4-methoxyphenyl)butan-2-one</metabolite_name><metabolite_name>[(5E)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate</metabolite_name><metabolite_name>Abietic acid</metabolite_name><metabolite_name>(2Z,6E,10Z)-12-acetoxy-10-(acetoxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid</metabolite_name><metabolite_name>Methyl Haematommate</metabolite_name><metabolite_name>LPC(12:0)</metabolite_name><metabolite_name>2,7,7,11,15-pentamethyl-5,12,14-trioxapentacyclo[9.8.0.02,8.04,6.013,18]nonadec-13(18)-ene-3,17-dione</metabolite_name><metabolite_name>(2E,4E)-5-[(1S,2R,4aS,5S,8S,8aS)-5-hydroxy-3,8-dimethyl-2-[(E)-1-methylprop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid</metabolite_name><metabolite_name>SM(d18:1/17:0)</metabolite_name><metabolite_name>(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxo-chromen-2-yl)-2-hydroxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid</metabolite_name><metabolite_name>5-hydroxy-5-isopropyl-4-methoxy-furan-2-one</metabolite_name><metabolite_name>1,5,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one</metabolite_name><metabolite_name>[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate</metabolite_name><metabolite_name>9-HODE</metabolite_name><metabolite_name>Chrysanthemic Acid</metabolite_name><metabolite_name>2-(4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate</metabolite_name><metabolite_name>dimethyl 4-hydroxybenzene-1,3-dicarboxylate</metabolite_name><metabolite_name>13(S)-HpOTrE</metabolite_name><metabolite_name>Flavin mononucleotide (FMN)</metabolite_name><metabolite_name>Sitaxsentan (sodium)</metabolite_name><metabolite_name>BML-284</metabolite_name><metabolite_name>alpha-Ketoglutaric acid (alpha-KG)</metabolite_name><metabolite_name>(Z)-2-oct-7-enylpent-2-enedioic acid</metabolite_name><metabolite_name>2-(3-hydroxy-5-methyl-phenoxy)-5-methoxy-3-methyl-phenol</metabolite_name><metabolite_name>Royal jelly acid</metabolite_name><metabolite_name>7,8-dihydroxy-4-phenyl-chromen-2-one</metabolite_name><metabolite_name>(2Z,4E)-5-[8-hydroxy-1,5-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid</metabolite_name><metabolite_name>2-acetylbenzoic acid</metabolite_name><metabolite_name>4-Nitrophenol</metabolite_name><metabolite_name>Grossamide or its isomer (Not validated)</metabolite_name><metabolite_name>Xylulose</metabolite_name><metabolite_name>Pyroglutamic acid</metabolite_name><metabolite_name>Mannitol</metabolite_name><metabolite_name>3-Hydroxyoctanoic acid</metabolite_name><metabolite_name>[3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl] 3-methylbutanoate</metabolite_name><metabolite_name>1-Myristoyl-sn-glycero-3-phosphocholine (LPC(14:0/0:0))</metabolite_name><metabolite_name>Noreugenin</metabolite_name><metabolite_name>(1S,4S,5R,9S,10R,13R,14S)-5-(Acetyloxymethyl)-14-hydroxy-14-(hydroxymethyl)-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid</metabolite_name><metabolite_name>(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one</metabolite_name><metabolite_name>2-(4-hydroxyphenyl)ethyl (1S,4aR,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate</metabolite_name><metabolite_name>9-hydroxy-2,10,10-trimethyl-tricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid</metabolite_name><metabolite_name>Salicylic acid</metabolite_name><metabolite_name>5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one</metabolite_name><metabolite_name>Pinocembrin-7-O-¦Â-D-glucopyranoside</metabolite_name><metabolite_name>Tricoumaroyl spermidine</metabolite_name><metabolite_name>Dodecanedioic acid</metabolite_name><metabolite_name>D-Mannoheptulose</metabolite_name><metabolite_name>(3aR,4aS,6R,8S,8aR,9aR)-6,8-dihydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one</metabolite_name><metabolite_name>2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate</metabolite_name><metabolite_name>2,2-Dimethylsuccinic acid</metabolite_name><metabolite_name>Guaijaverin</metabolite_name><metabolite_name>Lithospermic acid</metabolite_name><metabolite_name>8a-Hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid</metabolite_name><metabolite_name>[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylate</metabolite_name><metabolite_name>Manninotriose</metabolite_name><metabolite_name>Emodin</metabolite_name><metabolite_name>Flavanone base + 4O, 2Prenyl</metabolite_name><metabolite_name>Hexacosanoic acid</metabolite_name><metabolite_name>cis-9-Palmitoleic acid</metabolite_name><metabolite_name>Deoxyguanosine</metabolite_name><metabolite_name>1-(4-hydroxy-3-methoxy-phenyl)-7-phenyl-heptan-3-one</metabolite_name><metabolite_name>methyl 3-[7-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydroisobenzofuro[5,6-b]chromen-9-yl]propanoate</metabolite_name><metabolite_name>(E)-5-hydroxyundec-2-enoic acid</metabolite_name><metabolite_name>Avasimibe</metabolite_name><metabolite_name>Lactate</metabolite_name><metabolite_name>(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-(3-methylbutanoyloxymethyl)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid</metabolite_name><metabolite_name>ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate</metabolite_name><metabolite_name>Vitexin</metabolite_name><metabolite_name>(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methyl-pent-2-enoic acid</metabolite_name><metabolite_name>2,4,6-Tribromphenol</metabolite_name><metabolite_name>Isocaproic acid</metabolite_name><metabolite_name>Nocodazole</metabolite_name><metabolite_name>2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethyl-pyran-4-one</metabolite_name><metabolite_name>Smyrindioloside</metabolite_name><metabolite_name>Indole-3-carboxaldehyde</metabolite_name><metabolite_name>Stachyose</metabolite_name><metabolite_name>Stearic acid</metabolite_name><metabolite_name>(1S,4S,5R,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one</metabolite_name><metabolite_name>Dichotomitin</metabolite_name><metabolite_name>3,4-diphenyl-2H-furan-5-one</metabolite_name><metabolite_name>7-bromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one</metabolite_name><metabolite_name>Apigenin-7-O-glucoside</metabolite_name><metabolite_name>Jasmonic acid</metabolite_name><metabolite_name>3,5,7-trihydroxy-2,6,6,10,14-pentamethyl-11,13-dioxatetracyclo[8.8.0.02,7.012,17]octadec-12(17)-en-16-one</metabolite_name><metabolite_name>(E)-4-hydroxydodec-2-enedioic acid</metabolite_name><metabolite_name>10-hydroxy-12-(1-hydroxy-1-methyl-ethyl)-4-(3-methylbut-2-enyl)-3,6,8,13-tetraoxatetracyclo[8.3.0.02,4.05,9]tridecan-7-one</metabolite_name><metabolite_name>3-(1-methoxycarbonylvinyloxy)benzoic acid</metabolite_name><metabolite_name>14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one</metabolite_name><metabolite_name>(Rac)-Byakangelicin</metabolite_name><metabolite_name>Poncirin</metabolite_name><metabolite_name>5-pentyltetrahydrofuran-2-one</metabolite_name><metabolite_name>(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid</metabolite_name><metabolite_name>methyl (E)-8-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2,6-dimethyloct-6-enoate</metabolite_name><metabolite_name>Glutamate</metabolite_name><metabolite_name>Carboprost (tromethamine)</metabolite_name><metabolite_name>Heneicosanoic acid</metabolite_name><metabolite_name>4',7-hydroxyisoflavone-7-glucoside</metabolite_name><metabolite_name>3-Hydorxy-3-methylglutaric acid</metabolite_name><metabolite_name>(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid</metabolite_name><metabolite_name>(Z)-6-methyl-2-(4-methylpent-3-enyl)hept-2-enedioic acid</metabolite_name><metabolite_name>4-Nitrocatechol</metabolite_name><metabolite_name>(E)-2-(hydroxymethyl)-3-(5-isopropyl-3-oxo-4,5,6,7-tetrahydro-1H-isobenzofuran-4-yl)prop-2-enoic acid</metabolite_name><metabolite_name>Magnesium Lithospermate B</metabolite_name><metabolite_name>12-Hydroxystearic acid</metabolite_name><metabolite_name>Asiatic acid</metabolite_name><metabolite_name>(5R)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one</metabolite_name><metabolite_name>2-Methylheptanoic acid</metabolite_name><metabolite_name>2,6-dihydroxy-4-(2-hydroxy-1-methyl-propyl)-3-methyl-benzoic acid</metabolite_name><metabolite_name>p-Toluquinone</metabolite_name><metabolite_name>(4aR,6aS,9aR)-1,8,8-trimethyl-2-oxo-1,4,4a,6a,7,9-hexahydropentaleno[1,6a-c]pyran-5-carboxylic acid</metabolite_name><metabolite_name>3-(2,3-dihydroxypropyl)-6,8-dihydroxy-isochromen-1-one</metabolite_name><metabolite_name>Skyrin</metabolite_name><metabolite_name>4-Oxoretinol</metabolite_name><metabolite_name>Swertianolin</metabolite_name><metabolite_name>(10E)-heptadeca-1,10-dien-4,6-diyne-3,8,9-triol</metabolite_name><metabolite_name>5-[4-[(E)-3-carboxy-3-hydroxyprop-1-enyl]-4-hydroxy-3,3,5-trimethylcyclohexyl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid</metabolite_name><metabolite_name>4-(hydroxymethyl)-2-nitro-phenol</metabolite_name><metabolite_name>10-Hydroxydecanoic acid</metabolite_name><metabolite_name>Azelaic acid</metabolite_name><metabolite_name>Goniothalenol</metabolite_name><metabolite_name>Luteolin 7-diglucuronide</metabolite_name><metabolite_name>(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid</metabolite_name><metabolite_name>cis-Aconitic acid</metabolite_name><metabolite_name>Anthraflavic_acid</metabolite_name><metabolite_name>5-[(6-benzyloxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid</metabolite_name><metabolite_name>5-(5-methoxycarbonyl-5,8a-dimethyl-2-methylene-decalin-1-yl)-3-methyl-pentanoic acid</metabolite_name><metabolite_name>[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate</metabolite_name><metabolite_name>2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>[(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate</metabolite_name><metabolite_name>(2R,3R,4S,5S,6R)-2-[(2E)-6-hydroxy-2,6-dimethyl-octa-2,7-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol</metabolite_name><metabolite_name>Pelargonic acid</metabolite_name><metabolite_name>(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(1R,2R)-1,2-dihydroxy-1,5-dimethyl-4-methylene-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one</metabolite_name><metabolite_name>13(S)-HODE</metabolite_name><metabolite_name>(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid</metabolite_name><metabolite_name>[2-hydroxy-2-(4-hydroxyphenyl)ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate</metabolite_name><metabolite_name>(E)-1-[5-[(1E)-buta-1,3-dienyl]-4-hydroxyoxolan-3-yl]pent-3-ene-1,2-diol</metabolite_name><metabolite_name>Butylated hydroxytoluene</metabolite_name><metabolite_name>2-[[2-[[(E)-[10-acetoxy-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-6-ylidene]methyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoic acid</metabolite_name><metabolite_name>3-hydroxy-7-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-8-(3-hydroxypropanoyl)-3,6,8-trimethyl-1,2,4,4a,7,8a-hexahydronaphthalene-1-carboxylic acid</metabolite_name></additional><is_claimable>false</is_claimable><name>Non-targeted metabolomics analysis of the effect of strain MR-86 on the rhizosphere soil metabolome of Saposhnikovia divaricata under different disease severity levels</name><description>To clarify the effect of strain MR-86 on the rhizosphere soil metabolome of S. divaricata under different disease severity levels, a non-targeted metabolomics approach was applied to analyze soil samples from the GFQ, GFZ, and MR-86etGFQ treatments.</description><dates><publication>2026-04-16</publication><submission>2026-04-16</submission></dates><accession>MTBLS14298</accession><cross_references/></HashMap>