MetaboLights

application/xml

ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13295/m_MTBLS13295_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13295/m_MTBLS13295_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13295/a_MTBLS13295_LC-MS_positive_reverse-phase_metabolite_profiling-1.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13295/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13295/s_MTBLS13295.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13295/a_MTBLS13295_LC-MS_negative_reverse-phase_metabolite_profiling-1.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13295Annotations leveraged tiered confidence levels:Level 1: MS/MS spectral match cosine similarity over 0.8 and exact mass under 5 ppm error against HMDB and MetLin databases.Level 2: Mass-only match under 5 ppm from Majorbio Database.Statistical significance required dual criteria: VIP over 1 from OPLS-DA and p under 0.05 Students t-test. Pathways were mapped to KEGG using Fishers exact test via Python scipy.stats. Derivatization was not performed, limiting coverage of certain metabolite classesMetaboLightsPublicLiquid Chromatography MS - negative - reverse phaseLiquid Chromatography MS - positive - reverse phaseChromatographic separation was performed using a Thermo Fisher UltiMate 3000 UHPLC system (autosampler model not specified) with a Waters ACQUITY UPLC HSS T3 column (100 × 2.1 mm, 1.8 μm, C18). No guard column was documented. The binary mobile phase consisted of:Mobile phase A: Acidified aqueous solution with acetonitrile (0.1% formic acid).Mobile phase B: Acidified mixture of acetonitrile, isopropanol, and water (0.1% formic acid). Critical omissions: The gradient program (e.g., temporal variation of mobile phase B) was not defined, preventing method reproduction. Confirmed parameters: Injection volume 3 μL, column temperature 40°C; flow rate remained undisclosed.Background: Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disorder with unclear etiology and no effective cure. Accumulating evidence implicates gut microbiota dysbiosis and circulatory metabolic al-terations in ALS pathogenesis, potentially driving disease progression and severity. Methods: We enrolled 36 ALS patients and 32 healthy household relatives of these ALS patients as controls to minimize environmental confounders. Fecal (n=61) and serum (n=68) samples were analyzed using metagenomic sequencing for gut microbiota composition and untargeted metabolomics for fecal and serum metabolic profiles. Statistical and machine learning approaches, including principal coordinate analysis (PCoA), linear discriminant analysis effect size (LEfSe), and random forest modeling, identified differentially abundant taxa, metabolites, and biomarkers. Results: ALS gut microbiota showed distinct beta diversity but unchanged alpha diversity. Pathogenic Proteobacteria (Enterobacteriaceae, Desulfovibrioaceae) increased, while beneficial Faecalibacterium and Clostridium decreased. A random forest model identified 20 microbial genera (AUC=0.89) and species (AUC=0.92) as ALS biomarkers. Microbial functions indicated hyperactive carbohydrate and amino acid metabolism and suppressed fatty acid metabolism. Fecal metabolomics revealed 722 altered metabolites (670 downregulated, e.g., lipids; 52 upregulated), disrupting phenylpropanoid biosynthesis and linoleic acid metabolism. Serum metabolomics showed lipid and choline metabolism perturbations. Reduced creatine and 2-hydroxybutyrate correlated with lower ALS Functional Rating Scale-Revised scores, while elevated diacylglycerols tracked disease severity. Symbiotic network analysis linked pathogenic Erysipelatoclostridium to reduced beneficial metabolites. Eubacterium was a central node, influencing metabolomes and BMI, with higher BMI correlating with Firmicutes enrichment (e.g., Ruminococcus). Conclusion: ALS patients exhibit gut microbiota dysbiosis and circulatory metabolic disruptions, shaped by host factors like BMI and disease severity, correlating with disease progression. The microbiota-metabolite axis, elucidated through multi-omics and network analyses, offers targets for non-invasive biomarkers and therapies like microbiota modulation.Huaihe Hospital of Henan UniversityZhongwei Changblood serumfecesmass spectrometry assayFecal protocol: Precisely 50±5 mg stool was extracted in 400 μL methanol:water 4:1 v:v containing four undisclosed internal standards including confirmed L-2-chlorophenylalanine at 0.02 mg/mL, homogenized via cryogenic grinding -10°C, 50 Hz, 6 min, ultrasonicated 5°C, 40 kHz, 30 min, incubated -20°C, 30 min, and centrifuged 13,000 g, 4°C, 15 min.Plasma protocol: 100 μL plasma underwent protein precipitation with 300 μL methanol:acetonitrile 1:1 v:v, same internal standards, followed by vortexing, ultrasonication, incubation, centrifugation, nitrogen drying risk of volatile metabolite loss, and reconstitution in 100 μL acetonitrile:water 1:1 v:v with secondary sonication.Controls: A pooled QC was generated from 20 μL of each samples supernatant, one QC injected every 5–15 samples to monitor reproducibility. Solvent blanks were not described.Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS13295Zhongwei Chang. Huaihe Hospital of Henan University. 2628177895@qq.com.chang zhongwei. Huaihe Hospital of Henan University. 2628177895@qq.com.Raw data processing used Progenesis QI v2.3 (Waters) for peak picking (noise threshold undisclosed), alignment (retention time tolerance undisclosed), and integration. Post-processing included:Normalization: Sum normalization followed by transformation to minimize batch effects.Filtering: Features with >30% RSD in pooled QC samples were discarded to reduce technical noise.Multivariate analysis: OPLS-DA via R ropls v1.6.2 with VIP >1 for feature prioritization. Treatment2628177895@qq.comThis cohort study enrolled first-degree relatives of ALS patients, with samples collected at Yangzhi Rehabilitation Hospital Shanghai between October 2022 and March 2025. ALS patients n36 were diagnosed using the Gold Coast Criteria, while controls n32 were family members without personal or family history of neurodegenerative diseases. All participants provided written informed consent, legally authorized representatives consented for incapacitated individuals. Plasma was drawn from non-fasting ALS patients due to ethical concerns over fasting discomfort. Extensive metadata were documented: demographics sex, age, height, weight, BMI, ALS-specific clinical features onset segment, phenotype, diagnosis timeline, ALSFRS-R severity, constipation levels, and sleep status. The protocol was approved by the hospitals Ethics Committee.Metabolomicsultra-performance liquid chromatography-mass spectrometryMulti-omics studyThermo Scientific Vanquish Horizon UHPLC systemuntargeted analysisThermo Scientific Q Exactive HF-Xblood serumuntargeted metabolitesHomo sapiensmicrobiomefecesexperimental sampleultra-performance liquid chromatography-mass spectrometryMulti-omics studyThermo Scientific Vanquish Horizon UHPLC systemuntargeted analysisThermo Scientific Q Exactive HF-Xblood serumuntargeted metabolitesHomo sapiensmicrobiomefecesexperimental sampleAnalysis employed a Thermo Fisher Q Exactive HF-X hybrid quadrupole-Orbitrap mass spectrometer with HESI-II electrospray ionization. Dual-polarity scanning positive/negative switching covered m/z 70–1050. Key settings:Ion source: Sheath gas 50 arb, auxiliary gas 13 arb, heater 425°C, capillary 325°C, spray voltages ±3500 V, S-Lens RF 50.Fragmentation: Stepped higher-energy collisional dissociation HCD at 20/40/60 eV.Resolution: Full MS 60,000 FWHM at m/z 200, MS/MS 7,500 FWHM. No scan rate or AGC target details provided.Sesartemin1-Nonadecanoyl-glycero-3-phosphoethanolamine4-HydroxynonenalSyringic AcidPyrocatecholGuaiacolLumirubinN-EthylanilineUridine 2',3'-cyclic phosphateBisacurone BMethyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoateDeoxyribose 1-phosphatePantothenolNiazirinHeliannuol AKetoleucineTamibarotene3a,7b,12a-Trihydroxy-5a-Cholanoic acidAuxin aAlclofenacEtiocholanolone sulfateSatranidazole2,5-Dihydroxybenzenesulfonic Acid1,5-octadien-3-ol3-Hydroxyanthranilic Acid2,6-DimethoxyphenolS-(2-Methylpropionyl)-dihydrolipoamide-EN-Formyl-L-Methionine3-ethylphenyl Sulfate13(S)-HpODE3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-YL)methylene]-2-indolinoneN-Acetyl-D-tryptophanDG(16:1(9Z)/15:0/0:0)N2-AcetylornithineCrimidineProstaglandin E39-HpodeMG(0:0/PGJ2/0:0)Pyrroline hydroxycarboxylic acidLusitanicosideMevalonic acidBoldenoneDL-Alanyl-DL-leucine4-Feruloyl-1,5-quinolactone(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acidSativanSerotinoseGlutamylisoleucineGentiopicrinGamma-GlutamyltyrosinePS(15:0/22:1(13Z))DoqualastD-glycero-L-galacto-Octulose4,4'-Sulfonyldiphenol[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfatePGA2Met-leu-pheDG(15:0/16:1(9Z)/0:0)FluocinonideGlutarate semialdehydeArabinonic acidPalmitaldehyde5-Hydroxyhexanoic acid3-Hydroxydodecanedioic acidD-Tartaric Acid3'-thiacytidineCoumarinateBursopoietin2,4-Dimethyl-1,3-oxazole-5-carboxylic acidN-(1-Deoxy-1-fructosyl)alanineTyrosyl-CysteineDG(13:0/0:0/18:3(9,11,15)-OH(13))Ursodeoxycholic acid 3-sulfateAcetylcorynoline4-Coumaryl alcohol4-Hydroxyphenyl acetateP-Tolyl SulfateDodecanedioic AcidCnidimol 7-glucoside2-Methyl-4-pentenoic acidLysoPC(14:1(9Z)/0:0)Decanedioic acidSuccinyladenosineN-Acetyllactosamine3,4-DHPEA-EAO-CresolAcetylglycineTetraxetan2,3-Butanediol glucosideHerierin IV3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde(-)-Huperzine A (HupA)2-(p-Acetamidophenyl)-2-ethylglutarimideGalactosyl hydroxylysineGlycocholenate sulfateProstaglandin D1RutinoseAcetyl-L-tyrosineSar-Pro-Arg-pNA3-Dehydroquinic acidCysteinyl-ThreonineNaringinIsovaleric AcidCitrubuntinMethyl 2-HydroxyisobutyrateBetamethasone 17 ValerateSapacitabine2,3-Dimethoxy-5-methyl-6-(9'-carboxynonyl)-1,4-benzoquinoneAla-pheLinalool (8-hydroxydihydro-)D-GlucoseVertilmicin17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)N-EthylnorcotinineLovastatinTilsuprost(1R,2R,4R,8R)-p-Menthane-2,8,9-triol3'-demethyletoposide(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrolProtocatechuic acid 4-glucosideAscorbyl stearate(3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucosideFuranone ABile acidEpiroprimL-beta-aspartyl-L-glutamic acidN(6),O(2)-DimethyladenosineUracil analogueMonooctyl phthalate2,4-Hexadien-1-olDodeca-6,8,10-trienedioylcarnitine1,3,7-Trimethyluric Acid3-Hydroxyindolin-2-one-sulfate(+/-)-3',4'-Methylenedioxy-5,7-dimethylepicatechin(3S)-3,7-Diaminoheptanoic AcidFructosyl-lysineAlpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID(R)-1-Methylpiperidine-2-carboxylic acidDauricineP-Hydroxyubenimex2,6-diamino-4-hydroxy-5-formamidopyrimidineL-quinateProazuleneL-PhenylalanineHelinorbisabone(R)-DihydromaleimideTryptophyl-AspartateAlanyltryptophanCoumafurylLys-Ala-OHNodakeneticUrolithin-3-sulfate(+/-)-CatechinN(2)-phenylacetyl-L-glutaminate2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acidArginylthreonine12-MethyltridecanalGibberellin A7(3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide9,12,13-TriHOMEGibberellin A5Terephthalic acid7-Oxomatairesinol3-Mercaptohexyl hexanoateS-Glutaryldihydrolipoamide11-Deoxycortisol-3-carboxymethyloximeBuprenorphine2-[4-(Carboxymethyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-11-yl]acetic acidPhenylethylmalonamide3,3-Dimethylacrylic acidTHURFYL NICOTINATEValencic acidS-(2-Hydroxyethyl)glutathioneGlutaminylthreoninePentaerythritol mononitrateGalabiose2-Hydroxy-4-carboxybutyrylhistidylprolinamide7-DEHYDROXYCHOL-8(14)-ENIC ACID(R)-3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-oneN-Acetyl-4-O-acetylneuraminic acid11b-Hydroxyprogesterone2-Isopropylmalic Acid(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acidTrans-Dodec-2-enoic acid24-EpibrassinolideN-Acetyl-L-TyrosineLL-2,6-Diaminopimelic AcidTryptophyl-LysineBursinRiboflavin reducedValnemulinGonyautoxin VMethyldopateCyclopropanecarboxamide, 1,2,2,3,3-pentamethyl-Nicardipine1-MethyladenineFoliandrin3-EpinobilinMethyl GallateTetracosapentaenoic acid (24:5n-6)FipronilCyclic 3-HydroxymelatoninSupiculisporic AcidDodecylbenzenesulfonic AcidAziridyl benzoquinone3-(3,4-Dihydroxyphenyl)lactic acid15-DeacetylneosolaniolTRIADIMEFONIsoleucyl-Glutamate2,3-Dihydro-1H-pyrrole-2-carboxylic acid3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate5-MethoxytryptophanPentadecanoic Acid1-Tridecene-3,5,7,9,11-pentayneHomovanillinN-AcetylimidazoleCryptodorineArkofixAcrimarine I(2-oxo-2,3-Dihydro-1H-Indol-3-yl)acetic Acid2'-Deoxyuridine2,6-Dimethoxy-1,4-benzoquinone3,4'-Dimethyquercetin 7-[alpha-L-arabinofuranosyl-(1->6)-glucoside]CannabigerolateSialosyl-Tn saccharideFuranodienoneGibberellin A38 glucosyl esterCellulose, microcrystalline10-Hydroxydecanoic AcidSulfuric acid 4-methoxyphenyl ester2-Aminomuconic acidFructosyl valineAspartyl-ValineHydrodolasetronAdrenochromeBiotripyrrin-aLysoPC(17:0/0:0)L-2-Amino-4-methylenepentanedioic acidHydroquinoneGlucosyl 6-hydroxy-2,6-dimethyl-2E,7-octadienoateVulgarinPhenyl-AlanineTulipinolideD-1,5-AnhydrofructoseGenisteinChenodeoxycholic acid glycine conjugateFurylacryloylalanyllysine12-Oxo-2,3-dinor-10,15-phytodienoic acidGlutaminylvalineSibiricose A5(2E,4E,7R)-2,7-Dimethyl-2,4-octadiene-1,8-diol 8-O-b-D-glucopyranosidePyramid2,7-dihydroxy-4'-methoxyisoflavanoneAllysine1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanoneA-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acidThreonyltryptophan4-Hydroxy-4-(3-pyridyl)-butanoic acidD-Alanyl glycine1,25-Dihydroxy-19-norvitamin D32-Methoxyestrone 3-glucuronide1-(2-Hydroxyethoxy)methyl-5-methyluracil8-(4-sulfophenyl)nonanoic AcidEthyl octanoateProstaglandin J2L-beta-aspartyl-L-leucinePhenol glucuronidePhysostigminePelargonic acid(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-oneMilbemycin A4Goshonoside F1N-propylthiouracilMilbemycin A3Caffeic acid 4-O-sulfateGoshonoside F5Dihydrolipoamide2-Hydroxyacetaminophen sulfateMolluginRubiadinA-L-Arabinofuranosyl-(1->3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinoseCynaratriol15-Keto-prostaglandin F2aPentanoic acid, 5-(dipentylamino)-5-oxo-4-((3-quinolinylcarbonyl)amino)-, (R)-1,N6-EthenoadenosineAlpha-Carboxy-delta-nonalactoneAlpha-Furyl methyl diketone2-Hydroxybenzaldehyde3alpha,7alpha,24(S)-trihydroxy-5beta-cholestan-27-alCamellenodiol3,7-DimethylquercetinTrimethobenzamide2-AminophenolAminocatechol N-acetate sulfateIsoliquiritigeninVinclozolin M2FalcarindiolAncistrocladineDemissidineLeucyl-Valine4,4'-Diphenylmethane diisocyanate2-Benzylsuccinic AcidPC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))GraveolinineForskolin(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid[(S)-1-Carboxy-2-phenyl-ethyl]-carbamoyl-Arg-Val-Arg-aldehyde4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol[12]-ShogaolN-carboxymethyllysineUbiquinone-2Coumaroylquinic acid (p-)Artecanin(+/-)-Enterolactone1-O-Sinapoyl-beta-D-glucoseCis-MelilotosideBeta-D-galactosylLeflunomideSoyasapogenol D5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid4-Vinylphenol sulfate3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-olOsmaronin1-(2-Methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine10Z-Nonadecenoic acid17-HydroxyprogesteroneC75GlutamylthreonineDihydrocoumarin2-Propyl-2,4-pentadienoic acid3,5-Dimethyl-3'-isopropyl-L-thyronine4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide(S)-3-Sulfonatolactate4a-Methylzymosterol-4-carboxylic acidDihydrolipoateFenleutonGlycitin11'-Carboxy-alpha-chromanol1-heneicosanoyl-glycero-3-phosphate3 Hydroxycoumarin3-Methyladipic AcidSamidorphanSoyasapogenol AGlu-Ile-Leu-Asp-ValAlanylhydroxyprolineMytilin B4-Acetyl-2-prenylphenol glucosideDG(8:0/a-17:0/0:0)HistidylasparagineMethyl fluoroquinoloneDG(16:0/20:3(5Z,8Z,11Z)/0:0)QH(2)Mycophenolic acidL-arogenateFumonisin AK1DG(15:0/18:2(9Z,12Z)/0:0)DifloxacinLysoPE(0:0/20:0)Adipostatin AN-Formyl-methionyl-leucyl-phenyl-alanineDaidzein-8-C-GlucosideDeca-4,6,8-trienedioylcarnitine4-Oxo-L-proline2-Hydroxybenzyl alcohol6-Hydroxy-1H-indole-3-acetamideGlutaminyllysineHippuric AcidOctopine3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acidN-Oleoyl Leucine(2xi,4xi)-2,4-Nonadien-1-ol(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acidEthyl glucosideLamivudine sulfoxideHistidine glutamate3a,7a-Dihydroxy-5b-cholestaneN-Eicosapentaenoyl Tyrosine2-Methoxy-1,4-benzoquinoneDihydro-O-methylsterigmatocystinPaliperidone4-Hydroxymandelic AcidMaltoxazineHemorphin-4Fragransin C1BrassinolideUndeca-4,6,8-trienedioylcarnitine5-Hydroxybenzofuran-2(3H)-oneGluconolactone3-Furanmethanol glucosidePhenylalanylisoleucineEquilenin3'-Amino-3'-deoxythimidine3h-TaurinePyrogallol-2-O-glucuronide3-Hydroxypicolinic acidRhamnetin 3-rhamninosideChrysoobtusin(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-sulfooxyoxane-2-carboxylic acidBovinocidinObtusilactone ACarbenicillinAlpha-BixinCassic Acid2-Cyano-2-(3,4-dihydroxy-benzyl)-thioacetamideKetotrilostane2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-oneUndecylenic acidCarbuterolTheogallinGamma-Glu-leuDG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)6-Acetamidohexanoic acid2-Methylhippuric acidLinocinnamarin6-keto PGE1Arginyl-glycyl-aspartic acidN4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamineN2-Acetyl-L-ornithineGlucitol-lysineCantharidinNaphthalene-1,2-diolPalmitoleic acid1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamineAceglutamide4-Vinylcyclohexene dioxideGlucose propionateN-Palmitoyl CysteineAmobarbital4',6-Dihydroxyflavone2-PropionylpyrroleTulathromycin AUrea glutamate6'-HydroxyangolensinDoisynoestrolVanilpyruvic acidGly Leu PheVal-Cit1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosoureaIndole-3-acetyl-leucine4,5-DihydrovomifoliolChenodeoxycholylasparagineCaramboxinMethanethiosulfonateHomocapsaicinDG(20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0/13:0)3-Allylphenol sulfate12-Hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate5,5-Dimethylbarbituric acidDesmethyltetrahydropiperine sulfateLeu-Arg-Asn-Arg2-aminophenol sulphate1'-O-Acetylpaxilline3-HydroxyquinineCortisone acetateNafazatromSchisantherin BPrazosin3-(1-Hydroxymethyl-1-propenyl)pentanedioic acidValtratePentadecanedioylcarnitineHalleridoneDG(14:1(9Z)/14:1(9Z)/0:0)2-Hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxononyl]-3-methyl-2H-furan-5-one6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide27-NorcholestanehexolDelta-9-tetrahydrocannabinolateCyclohexylsulfamate2-cis-abscisateMedrysoneAcrylamide-sodium acrylate resin2-Benzothiazolsulfonic AcidUreidosuccinic AcidSesamol3-Dehydrocholic Acid(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucosideMepindololAla Leu Gly Ile SerSuccinic acid semialdehyde16-feruloyloxypalmitate(R)-1-Octen-3-ol4-Hydroxybenzoic AcidHydroxyphenyllactic acidGlycyl-l-histidyl-l-lysineCombretastatin A4TricyclodehydroisohumuloneCoelenterazine4-Oxododecanedioic acid3,3',5-Trihydroxy-4',7-dimethoxyflavanoneLinoelaidic acidProstaglandin PGE2 1-glyceryl ester(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol5-Acetyl-3,4-dihydro-2H-pyrroleLysylaspartic acid4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-olN-Palmitoyl GlycineKetamine2-n-Propyl-4-oxopentanoic acid5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone5-(Hydroxymethyl)piperidine-3,4-diol1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate(3R)-3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide3-Methylsuberic acidCapsidiolDihydroferulic acid 4-O-sulfate6-O-Desmethyl-mycophenolic acidTyrphostin 23PanatellinDiethyl Phthalate3-Hydroxy-4,9-dimethoxypterocarpanMethylnoradrenalineEndralazine3-NitrobenzaldoximeQuinic Acid2,6-Dihydroxy-4-MethoxytoluenePhthalideAlpha-CEHCPE-NMe(20:2(11Z,14Z)/18:0)Glucose pyruvate13-HydroxyhexadecanoylcarnitinePlicatic acid4-Quinolinamine, N-hydroxy-, 1-oxideZolmitriptan N-OxideHouttuynin3-MethylindoleImidaprilatAlpha-Tocopheryloxyacetic acidFasoracetamPISCIDIC ACIDPentalenolactone OThreonylmethionineP-Anisic acid(5E,7E)-Undeca-2,5,7-trienedioylcarnitineN5-Acetyl-N2-gamma-L-glutamyl-L-ornithineDG(2:0/0:0/LTE4)Menthyl pyrrolidone carboxylateAminofructose 6-phosphateTrihydroxystilbene3-HydroxybutyrylcarnitineJasmolone(2Z,4E)-Deca-2,4-dienedioylcarnitine2-Hydroxy-3-morpholinopropanesulfonic Acid4-Hydroxy-2,6-dimethylaniline3-Oxooctanoic acid(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acidNitrobenzodiazepineO-methoxycatechol-O-sulphateN-(4-Cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamideDG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/i-13:0)Epsilon-caprolactamN-Acetylglucosamine 6-sulfate3-Amino-2,3-dihydrobenzoic acidAzelaic Acid9,15-dioxo-11R-hydroxy-2,3,4,5-tetranor-prostan-1,20-dioic acidCichorioside HGlycolaldehydeEthyl 3-oxohexanoate16,16-Dimethylprostaglandin E22,3-Dihydroxybenzoic acid1,2-DehydrosalsolinolPisumic acidAlpha-AcetyllysineAlfentanilLysoPC(18:3(9Z,12Z,15Z)/0:0)Estrone3-Methoxy-4-hydroxyphenylglycol glucuronideEnbucrilateDeoxycorticosterone sulfate5-MethoxytryptopholSkimminD-Glucuronic AcidCapric AcidDelta-HydroxylysylnorleucineN-JasmonoyltyrosineP-CHLOROPHENYLALANINEFenspiridePE(20:4/0:0)3-(4-Fluorobenzoyl)propionic acidIsoguvacineAspartame3-Diphosphoglyceric acidL-SorbinoseConiferyl alcoholSemidehydroascorbic acidPorrigenin A8-Hydroxy-7-methylguanineIndoxyl SulfateGibberellin A51-cataboliteMusanolone CScoparoneHomocastasteronePhenylglyoxylic acidPhytyl diphosphateNorepinephrine sulfateEvogliptinTyrosyl-GlutamateArecoline2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine3-Hydroxy-3-methylglutarateElymoclavinePE(22:6/0:0)Calanolide ADiethoxycarbonyldiazeneN-Ethylmaleamic acidGenipic acid4-hydroxy-2-nonenal-[L-Cys] conjugateCarbofuran3-PyridinolTriacetic acidXi-3-Nonenoic acid3,3'-Dihydroxy-4',5,7-trimethoxyflavanN-Acetyl-DL-LeucineDeoxycholylisoleucineFuraneol 4-(6-malonylglucoside)Phthalic AcidL-AsparagineKainic AcidTetrahydrodipicolinate(+/-)-Tryptophan4-Chlorobenzoic acid2-Furoic AcidDG(15:0/14:1(9Z)/0:0)Cyclostenol5-hydroxyindole thiazolidine carboxylateHistidylcysteineGinkgolide CN-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-GlycineLysoPE(0:0/14:1(9Z))AustdiolPE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))AlanylserineMeso-2,6-DiaminoheptanedioatePseudouridine2,5-Bis(acetylamino)pentanoic acidEthylmethylhydroxypyridine succinateAcridonecarboxamideSonchifolinGamma-Secretase Inhibitor XXIPE-NMe(20:2(11Z,14Z)/18:1(9Z))4-maleyl-acetoacetateSativic acidIsocitric AcidKeto-3-deoxy-D-manno-octulosonic acidGuanosineBisdemethoxycurcuminHexanoyllysineTrimethoprim1,3-CyclohexanedioneKetoaceCryptochlorogenic acidDodecyl Hydrogen SulfateChenodeoxycholic AcidMG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)Neuromedin B (1-3)3-MethylxanthineOlprinoneVIBEGRONMorphGlucose butyrateProlylphenylalanine11-Oxo-androsterone glucuronidePA(8:0/PGJ2)Hexadecanedioic acidPalmitoleoylethanolamdeHelenalinPristanal(S)-3-Hydroxyisobutyric acidEdoxudine16alpha-Fluoroestradiol5-(Hydroxymethyl)-1H-pyrrole-2-carbaldehydeVulgaroleMidodrineLapachenole2-Methyldopamine1-Octanesulfonic acidAlloxazine3-Hydroxybenzoic Acid1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranosideCamonagrelLotusine3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid13-(3,4-Dimethyl-5-pentylfuran-2-yl)tridecanoylcarnitineGlutamylserineMalonic acid5-Dihydroxyhept-6-enoic acidPBD dimerEpicillinBedoradrineN(epsilon)-(Carboxymethyl)hydroxylysine2,4-Diamino-6-nitrotolueneDeferiproneBOX BIsoketocamphoric acid2H-1-Benzopyran-2-one, 7-(sulfooxy)-IsocyperolTestosterone sulfate3-Hydroxymethylglutaric acid2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-oneRotundoneAntibiotic CJ 15544L-Menthyl acetoacetateIndole-3-acetyl-isoleucine4'-PhosphopantothenoylcysteinePrim-O-glucosylcimifuginBeta-Alanyl-L-arginine4-AcetoxyphenolEquilin sulfateCoumaryl acetateL-Glutamic gamma-semialdehydeNorhygrineAsparaginyl-Tyrosine2-Propylglutaric AcidN-Acetyl-D-phenylalanineMethdilazine(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol2',3'-Didehydro-2',3'-dideoxycytidineCyclamate6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olideN-Lactoylvaline(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acidPhenylpyruvic acidPhenylalanylphenylalanine(9Z,12Z,15Z,18Z,21Z)-Tetracosa-9,12,15,18,21-pentaenoylcarnitineGamma-Glutamyl-2-aminobutyric acid11-Hydroxy-9-tridecenoic acidTerephthalic AcidD-Glucaro-1,4-lactone7-Ethyl-10-[4-(1-piperidino)-1-piperidino]carbonyloxycamptothecin(-)-Fumigaclavine BPhloretinPE(20:5/0:0)Brexpiprazole27-Hydroxyisomangiferolic acidAcetyl-DL-Leucine2,3-dihydroxy-3-methylvalerateDibekacinSorbic AcidSenkyunolide N6-MethoxymelleinMethylhexahydrophthalic anhydrideClofibryl glucuronide2-Dodecylbenzenesulfonic acidThiamylal2-Naphthylaminomethyl-gamma-aminobutyric acidGentianine5-Methylthioribose(+)-DehydrovomifoliolTrans-Resveratrol 4'-O-glucuronide2-Phenylethyl acetate17-Hydroxyandrostane-3-glucuronide4-Hydroxy-6-octenoylcarnitineRibitolAlanine lactate pyruvate2-Hydroxy-3-methoxy-6beta-naltrexol(E)-Resveratrol 3-glucoside 4'-sulfate5-Dehydroquinic acid4-ene-Valproic acid1-Carboxycyclohexaneacetic AcidSerylglutamic acidSemilepidinoside ACurcumenol5-Nonadecyl-1,3-benzenediolVanillylamineFormyl-5-hydroxykynurenamineStavudineNa-p-Hydroxycoumaroyltryptophan(2E,6E)-2,6-bis(2-phenylhydrazono)cyclohex-4-ene-1,3-dione3-MethoxyanthranilateTrans-Zeatin-O-glucoside riboside4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldioneHaloxyfop-P3-(Hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione3-Hydroxybenzyl AlcoholBeta-D-GlucosamineDocosahexaenoic Acid2-Hydroxypropyl methacrylamidePyroglutamyl-3-methylhistidyl-prolinamidePimelic acidMesylateEmodinP-Aminobenzoic acid(E)-10-Hydroxy-8-decenoic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidDopamine quinoneSobetiromeGlycyl-leucine1-palmitoyl-dihydroxyacetone-phosphateP-Toluenesulfonic acidN-Docosahexaenoyl Glutamine2-Methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acidHistidinalGomisin ACis-Zeatin O-glucosideTiglic acid2-Chloro-DGDG(2:0/0:0/PGF1alpha)Zizybeoside IGomisin DUbenimexAmiloride3'-O-MethylequolSeryltryptophanAbeadoFuraneol (keto form)1-Methylcyclohexane-1,2-dicarboxylic acidDIHYDROATRANORINDihydroartemisinin5,7-Dihydroxy-4H-1-benzopyran-4-oneVelagliflozinPE(18:2/0:0)2-O-Benzoyl-D-glucoseEthylenediaminetetraaceticacidN-Lauroyl Lysine1,3-Dihydro-(2H)-indol-2-oneSpongothymidineOxymetazoline{4-[4-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]cyclohexyl}acetic acidBeta-D-Glucopyranosyl anthranilateN-Acetyl-L-aspartic acidMG(14:1(9Z)/0:0/0:0)DillanosideNeoagarotetraoseTerbogrelBesifovirPectic acid1-a,24R,25-Trihydroxyvitamin D24,5-seco-dopaLysylhydroxyprolineLysoPA(i-14:0/0:0)GenipinGamma-GlutamyldopaAlectrolTriazolopropionic acidCitrazinic AcidVerbenalolDehydroepiandrosterone SulfateN-Methacryloyl-L-glutamic acidTetrahydrofolic acid7-EthoxycoumarinN,N'-METHYLENEBISACRYLAMIDEDIHYDRO-beta-TUBAIC ACID1-O-all-trans-retinoyl-beta-glucuronic AcidPhendimetrazineErinapyrone A2-Hydroxy-4-trifluoromethyl benzoic acidErinapyrone CArginylisoleucineNeogitogeninPymetrozineValine-betaxanthinTetracosapentenoic acidTazobactam4-Allylpyrocatechol sulfate2-Anthraquinonesulfonic acid3-Bromo-5-chloro-2,6-dihydroxybenzoic acidHydroxymethoxyphenylcarboxylic acid-O-sulphateDictyoquinazol B2,4,5-Trichloro-6-Hydroxybenzene-1,3-DicarbonitrileGanetespib3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acidGlutamyltyrosine(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol4-Ethoxyphenol2,6-Nonadien-1-olDihydrofolic acidSucralose2,3-Dihydroxytoluene1,11-Undecanedicarboxylic acid1-METHYLXANTHINEDopamine 3-O-sulfate27-Deoxy-5b-cyprinol4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-oneDolichosteroneSinapineN-Stearoyl Tryptophan3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanateT2 TriolCohibin AN-Lauroyl CysteineL-Citronellol glucosideS-(PGA2)-glutathione5'-Methoxy-O-desmethylangolensinVignafuranAlpha-D-xylose 1-phosphateP-Hydroxyphenethyl trans-ferulateFluocortolone caproate4-p-Coumaroyl-1,5-quinolactone3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside3-Hydroxy-1-phenyl-1-eicosanoneBrinzolamideOsajinIdebenoneCinncassiol AD-erythro-Eritadenine2-oxo-3-phenylpropanoatePhenoxyacetic Acid4-oxo-Retinoic acidN-AllylglycinePhosphateArgininic acidAlpha-PyrufuranPtaquilosideIsopropylmaleic acid(-)-alpha-5,9-Dimethyl-2-(3-furylmethyl)-2'-hydroxy-6,7-benzomorphaneXylobiose5-hydroxypropafenoneO-BENZYL-l-SERINEDeoxycholylphenylalanineGlutamine-glutamate2,6-DihydroxypyridineMomilactone AHydroxyprolyl-ProlineMomilactone B6-Fluoromevalonate4-p-Coumaroylquinic acid1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acidHypochoeroside A3-Oxohexanoic acid1-[(2R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinoneTrans-p-Feruloyl-beta-D-glucopyranosideBenzyl formate5-Deoxydiplosporin(6E)-Tridec-6-enedioylcarnitine2-n-Propylthiazolidine-4-carboxylic acidIndolelactic acid1-Piperideine-2-carboxylic acid4-AcetamidobutanoateMaltotetraose3-(1H-Pyrrol-2-yl)propanoic AcidAminocaproic acidMimosineErythrocentaurinSarecycline(S)-9-Hydroxy-10-undecenoic acidBenzyl acetateAspartyl-IsoleucineLactapiperanol CGravacridonetriol glucosideLeucopelargonidinDemethoxyegonolMethylhydroxygliclazideClofibrateLovastatin acidNebularine(2R)-2-Hydroxy-2-methylbutanenitrileThymidine 3',5'-cyclic monophosphate(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diolDG(8:0/i-15:0/0:0)Adipic AcidStizolamineFrenolicin BN-Oleoyl Glutamic acid5-Sulfosalicylic acidAlpha-CotonefuranCortolone-3-glucuronideNorfuraneolCholylglutaminePE(18:0/20:4(5Z,8Z,11Z,14Z))Strobilurin(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-oneRishitinN-(2-Hydroxyethyl)acrylamideTezampanel2-PyridoneLiquiritigenin4-Hydroxycyclohexylcarboxylic acid[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] (2S)-2-aminopropanoateVomifoliol(2S)-2-Amino-6-[(3-formylpiperidin-1-yl)amino]hexanoic acidGamma-delta-Dioxovaleric acidPoststatin12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acidBenzene oxide(+/-)-SphaerosinEmorfazoneAdenineCoixinden BChlorogenic acidTyrosyl-Tryptophan7-Aminomethyl-7-carbaguanineOxoadipic acid24-Oxo-1alpha,23,25-trihydroxyvitamin D3CortisoneDL-Allylglycine3-amino-2-naphthoic acidAlpha-Carboxyethyl hydroxychromanSporolSerylleucine2-Phenylethanol glucuronideLevonordefrinMethylimidazoleacetic acidValylhistidinePipamperoneA-L-Arabinofuranosyl-(1->3)-b-D-xylopyranosyl-(1->4)-D-xyloseRiesling acetal5,6-Dihydro-11-methoxyyangoninIndole carboxylic acid sulfateHeptyl 4-hydroxybenzoateSalicylic AcidHexahydropyrrolo[1,2-a]pyrazine-1,4-dioneN-alpha-Acetyl-L-lysineMarmesin galactoside3,5-Dichloro-2,6-dihydroxybenzoic acidMethotrexateCis-Vaccenic acid3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acidPhenytoin dihydrodiolCucurbitacin APangamic acid3-Hydroxybenzaldehyde1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-AconineXi-3,5-Dimethyl-2(5H)-furanoneUrolithin B 3-O-glucuronideValproic acidArbutin5-Caffeoylquinic acid6-isobutyl-4-hydroxy-2-pyroneTributyrylglycerolXi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one5-(2'-Carboxyethyl)-4,6-DihydroxypicolinateMetronidazoleTheophyllineCucurbitacin S2-(4-Methylphenoxy)-7-(4-chlorophenyl)heptanoic acidN-LactoylleucineAsparaginyl-SerineL-4-Hydroxyglutamate semialdehydePropranolol glucuronide4-DeacetylneosolaniolCellobiosideArascL-Menthyl (R,S)-3-hydroxybutyrateLeucyl-leucineDG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0/8:0)Gambogic acidOxytetracycline6-HydroxymelatoninPicolinic acidAnnosquamosin ACis-3-Hexenyl lactateAF Toxin IIAncymidolMosin CN-(2,3-Dihydroxypropyl)valine2'-FluorothymidineN-Acetyl-leukotriene E4N-Acetyl-9-O-acetylneuraminic acid24,24-Difluoro-1alpha,25-dihydroxyvitamin D34',7-Di-O-methylcatechinSuccinylacetone1-(3-Methyl-2-butenoyl)-6-apiosylglucosePemolineAspartyl-L-prolinePanose5-HydroxyferulateEthoxyacetic acidSenkyunolideClidiniumDeoxyguanosineDiethadione4-Heptyloxyphenol3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione5-Hexyl-2-furanoctanoic acid4beta-hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol(10S,11R)-Pterosin C 4-glucoside(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oximeKyotorphinDelta-Maslinic acid methyl esterPE-NMe(16:0/22:5(4Z,7Z,10Z,13Z,16Z))PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))1,4-Butanediol diglycidyl etherGlu-Thr1-Methoxyphaseollin2-Mercaptopropanoic acidIsoamericanol A3-(6'-methylthio)hexylmalateCarboxyethyl-hydroxychroman1H-Perfluorooctane7-Methylxanthosine5-Chloro-2'-deoxyuridine1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-oneIpomeatetrahydrofuran3-Oxododecanoic acidChrysosplenolVALSARTANHistamine-TrifluoromethyltoluideLysoPE(16:0/0:0)PI(20:4(5Z,8Z,11Z,14Z)/0:0)SecologaninIndole-3-acetaldehydeN-formylanthranilic acid3-Hydroxypropyl methacrylateTryptophyl-LeucineFenclofenac2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid28-NorbrassinolideDimethyl-3-hydroxypyrid-4-oneUndec-4-enedioylcarnitineProlyl-AlanineDihydro-4,4-Dimethyl-2,3-furandioneDV 7751aChorismateFurcelleranTraumatin5-Methyl-2-thiophenecarboxaldehydeNona-3,5,7-trienedioylcarnitine2-(1-Hydroxyethyl)-4-(2-Hydroxypropyl)-2H-Furan-5-OneIndoxyl glucuronideGalactosylglycerolKoenigine2,5-Dimethyl-4-ethoxy-3(2H)-furanoneMaleic Acid6-(2-Hydroxyethoxy)-6-oxohexanoic acid(4E,15Z)-Bilirubin2-Nonene-1,4-diol(5E,8E,11E)-13-[(2S,3S)-3-Pentylthiiran-2-yl]trideca-5,8,11-trienoic acidHeptafluorobutyric acidAcolbifeneGamma-GlutamylprolineCarbamoyl (2R)-2,5-diaminopentanoate4-Formyl-3-(formylmethyl)-4-hexenoic acid1-Indanol9,10-Epoxystearic acidCholyltyrosine2-Carboxy-4-dodecanolideTripdiolideChrysophanol3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5,16-dieneHispidin2-Methyl-5-hydroxytryptamineDeoxycholic acidIsoleucyl-thiazolidineMethylgallic acid-O-sulphate2-MethylfuranPhenylacetic AcidTaurochenodeoxycholate-7-sulfateTaraxacolide 1-O-b-D-glucopyranoside4'-Hydroxyfenoprofen glucuronideProstaglandin F1a(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic AcidDNOCDG(14:1(9Z)/15:0/0:0)(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triolVoglibosa9,10-DHOMESchaftoside3,4-Methylenedioxybenzoic acidHigh Temperature Requirement A2 Inhibitor IIsoleucyl-TyrosinePhenylacetylglutamine2-Methyl-4-propyloxazoleAla-Lys-OHL-RhamnuloseLysoPA(i-21:0/0:0)Isophthalic AcidIsolubimin(6R)-5,10-Methylenetetrahydrofolate4-Hydroxyphenylacetic acid sulfate7a,12a-Dihydroxy-3-oxo-4-cholenoic acid12-Oxo-20-trihydroxy-leukotriene B4Mesaconic AcidL-ErythruloseEthyl gallateN-acetyl-alpha-D-galactosamine 1-phosphateL-Histidine(+)-trans-CarveolEthyl MyristateParasorbic acid3beta-Hydroxypregn-5-en-20-one sulfateNiazirinin1-O-Feruloyl-beta-D-glucoseMenthone lactone3[N-Morpholino]propane sulfonic acidAlpha-Bisabolol oxide BCitrullineAcetylstrophanthidin1-KestoseCis-and trans-L-Mercapto-p-menthan-3-one11b,13-DihydrolactucinEnol-phenylpyruvateCarboprostN-VINYL-2-PYRROLIDONEN-Acetyl-DL-Methionine2-O-beta-D-Glucopyranuronosyl-D-mannose2,3-dinor-8-iso-PGF2a1-(2-Hydroxyethyl-2-hydroxymethyl)-5-nitro-imidazole10-Hydroxy-2-oxabicyclo[6.2.2]dodeca-1(10),8,11-trien-3-oneVanillactic acid(-)-BornesitolN2-Succinyl-L-ornithineN-Acetyl-DL-Valine10,11-Dihydroxycarbamazepine12-Ketodeoxycholic acidHydroxycaryophyllene3-MethoxytyrosineDemethoxycurcuminO-Acetylcyclocalopin APerfluorooctanoic acidGamma-Glutamylglutamic acidRicinineAbscisic alcohol4-Coumaroylputrescine15-Acetyl-4-deoxynivalenol4-MethylcatecholGamma-Glutamylaspartic acidLisinopril-tryptophan2H-Imidazol-2-oneACETANILIDETrans-Chlorogenic acidIsoferulic AcidEPIISOPILOTURINEGlutaminylprolineLeucylleucineOxiracetamNepetaside3-Hydroxy-Butanoyl-DL-Homoserine Lactone(2,5-Dioxopyrrolidin-1-yl) 5-(2-hydroxyethoxy)-4-oxopentanoateN2-Succinyl-L-glutamic acid 5-semialdehyde2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-oneArtemorin4-MethylorcinolGlutaminylisoleucine2,3-dinor-6-oxoprostaglandin F1alpha2,3-dimethylidenepentanedioylcarnitinePyridoxal (Vitamin B6)Kainic acid5-Diazouracil3,6-Dihydroxycyclohepta-2,4,6-trien-1-oneHydroxynalidixic acid12-Hydroxyheptadeca-5,8,10-trienoic acid3-Methylazelaic acidCis-AcetylacrylateAloesol 7-glucosidePtemcGlutamylphenylalanineAspartic Acid5-Hydroxyferulic acidTyrosyl-AspartateShikimic acidIriloneMalonic AcidIndole-3-acetic Acid7-HydroxygliclazideP-BenzosemiquinoneAcetoacetic acidTryptophyl-Gamma-glutamateAsparaginylisoleucineGlycylvaline2-[[[4-(3-Benzylcyclobutyl)-1,3-thiazol-2-yl]diazenyl]methyl]phenolIndan-5-olTuberose lactoneHernandulcin(2R)-1-O-beta-D-Galactopyranosylglycerol1,2-dibutyrinGlycylhydroxyprolineGlyceric AcidTectorigenin 4'-sulfateHydroxyprolyl-Leucine(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-olArginylalanine2,4-QuinolinediolIchangin 4-glucoside2-Pentanone3-Butyn-1-alRhamnose1-(9Z-Nonadecenoyl)-glycero-3-phosphoethanolamineAsparaginyl-ValineHydroxypropionic acidEthinamateDihydrophaseic acidHomogentisic AcidAcetyl 2-acetyloxybenzoate1,2-Dihydroxy-3-keto-5-methylthiopenteneParamethadioneEpsilon-Deoxy-fructosyl-lysine25-Hydroxyvitamin D3-26,23-lactol(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol2-Methoxyacetaminophen sulfateD-ErythroseCinnzeylanine5-NitrothiazoleGlutaminylarginineLoliolide6-Hydroxypseudooxynicotine7-Epijasmonic acidHispolon4-IpomeanolUralenneoside(S)-2-Aceto-2-hydroxybutanoic acid(R)-2-Hydroxycaprylic acidN-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-GlycinePterostilbeneN-Methyl-L-Threonine(2S)-2-[(2-Carboxy-2-oxoethyl)amino]pentanedioic acid[8]-ShogaolArginylmethionine2-Hydroxydecanedioic acidMatairesinol[6]-GingerdioneDodecyl-beta-D-maltoside4'-Dihydroabscisic acidTyrosyl-ProlineL-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid7,8-Dihydroxycoumarin7-(1-Imidazolyl)heptanoic acidAla-LeuTetradecanedioic acidMerodesmosineParacetamol sulfateIsokobusoneCymorcin monoglucosideMalonylcarnitineMopidralazine2,3-Dimethoxyphenol sulfate2-Pyrocatechuic AcidParylene CL,L-Cyclo(prolylalanyl)L-cis-3-Amino-2-pyrrolidinecarboxylic acidOctadeca-9,11-dienoic acid(2R,2'R)-3,3'-disulfanediylbis(2-acetamidopropanoic acid)O-AnisidineValeric acidLysoPI(18:2(9Z,12Z)/0:0)5Z-7-OxozeaenolN-MalonyltryptophanTyrosine methylester2-Isopropyl-3-oxosuccinateN(alpha)-Phosphorylalanylproline3-Phenyllactic Acid3-Methyl-3-hepten-2-one(5S)-5,6-Dihydroxy-2-oxohexanalUric acid citrateIndole-3-glycolGamma-D-GlutamylglycineL-Allysine Ethylene Acetal13'-Carboxy-alpha-tocopherolLysylasparagineSuccinic anhydrideEthyl (S)-3-hydroxybutyrate glucosideVicinePGF1alpha(E)-2-Glucosyl-3,4',5-trihydroxystilbeneP-Toluenesulfonic AcidGuanineAmericanin DTropatePhenmetrazine5-Methylpyrogallol sulfateD-Galactose5-Phenyl-1,3-oxazinane-2,4-dione2-(2-Hydroxyethyl)-4-oxohexanedioic acidXanthosineGlycylleucine2-Methoxy-5-methylanilineGamma-GlutamylalanineLersivirineTapsSuberic Acid8-MethylnonenoateLF2-(2-Hydroxyethyl)phenyl hydrogen sulfatePimelic AcidPurpald3-Oxovalproic acidGlutamylvaline9-Hydroxylinoleic acid4-HydroxyvalsartanMilrinonePA(8:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))10Z-Pentadecenoic acid3-alpha-Androstanediol glucuronideVerimol DTucatinibDescyclopropyl Abacavir2,3-Bis(3-hydroxybenzyl)butane-1,4-diolLithocholate 3-O-glucuronideIbuprofenAdenosine dialdehydeCreatine ethyl ester1,4-IpomeadiolHygrineMethyl 7-Deshydroxypyrogallin-4-CarboxylateTricarballylic AcidCasimiroin2,3-Methylene suberic acidGlycyl-ThreonineCoriandrone DCoriandrone BCoriandrone ABenzofuranHexythiazox4-Fluoro-L-phenylalanineOctahydrohyperforin3-MethylthymidineGarcinone CL-Glutamate(+/-)-2-Methylthiazolidine3,4-Dimethyl-5-pentyl-2-furantridecanoic acidLeucodopachromeCyclohexa-2,4-dienylmethanolIcos-19-ene-1,2,4-Triol8-OxononanoylcarnitineAlpha-Acetolactate decarboxylase (enzyme preparation from bacillus subtilis recombinant)Trans-Cinnamyl alcoholN-Arachidonoyl MethionineDexamethasone isonicotinate1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-oneProtoanemoninTuberonone3a,7b,12a-Trihydroxyoxocholanyl-GlycineAceneuramic acid3-Chloro-2-methyldienelactone(S)-Abscisic acid3-Methyl-2-Oxovaleric AcidXenognosin A1-(2-Amino-3-hydroxyphenyl)-ethanone sulfateO-Glutarylcarnitine1-Methyluric acid2-O-a-D-Galactopyranuronosyl-L-rhamnoseTryptophan glutamate2-AcetylaminofluoreneD-DigitoxoseN-Docosahexaenoyl Aspartic acidL-3-Aminodihydro-2(3H)-furanoneDihydromaleimide beta-D-glucosideBaikiainNb-p-Coumaroyltryptamine9,10-DiHOMEGlycylphenylalanylleucylglycineClorgilineIndole-3-Propionic AcidTaurinePhaseolic acidZalcitabine2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetateSimmondsin2-(4-Chlorophenoxy)propionic acidMetyrosineLoratadineE-31746-Thiourate(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside3,5-Dichloro-2-hydroxybenzenesulfonic acid3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanoneBcl-2 Inhibitor(+)-Diacetyl-L-tartaric anhydride5-Deoxyribose-1-phosphateMyristoleic acidMG(0:0/PGF2alpha/0:0)7-Deaza-2'-deoxyguanosineIsoleucyl-TryptophanFeruloylquinic Acid2-(1H-Indazol-3-yl)acetic acidPrednisoneIndan-1-olGlutamylglutamic acidHordatine B3-(4-Hydroxyphenyl)lactate6-Hydroxynicotinic Acid3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-oneFP-biotinSulbactamPerilloside A9(S)-HpODE4-Methylbenzoic AcidMedicarpin3-Acetylphenol sulfateArachidonoylcarnitine11-Dehydro-2,3-dinor-txb23-Octylthio-1,1,1-trifluoro-2-propanoneProtocatechuic acid 3-O-sulfateLysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)2-Hydroxy-2-(2-oxopropyl)butanedioic acidHomofureanol1-Heptadecene-4,6-diyne-3,9-diol(S)-HomostachydrineBatatasin IGentisic acidResokaempherolRuscogeninAdouetine YSuloctidilO-Phenolsulfonic acidAdouetine XN-Linoleoyl GlutamineImidazolone APhaseolus epsilon24-Hydroxycholesterol4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehydeSyk Inhibitor3-Benzyl-5-(6-carboxyhexyl)-1-(2-cyclohexyl-2-hydroxyethylamino)hydantoinIsopyridoxal3-MethyldioxyindoleL-alpha-Amino-1H-pyrrole-1-hexanoic acid2-hydroxylamino-4,6-dinitrotoluene-O-glucosideDecadienedioic acidPhenol sulphatePA(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))Madlongiside CGlycyl-prolyl-glutamic acidPI(18:1(9Z)/0:0)AllylisopropylacetamideMG(0:0/22:2(13Z,16Z)/0:0)Indole-3-acetic acid ethyl ester2-Hydroxybutyric Acid2-(Quinolin-8-yloxy)propanoic acidL-N-(3-Carboxypropyl)glutamineAzacitidineDG(14:0/18:4(6Z,9Z,12Z,15Z)/0:0)9-Oxo-nonanoic acidN-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-GlycineCholesterol sulfateDihydrojasmonic acidDaucolCis-Carvyl acetateZOLAZEPAM10-(2,3-Dihydroxypropoxy)-10-oxodecanoic acid4-Acetamido-2-amino-6-nitrotoluene5-HydroxyprimaquineSuccinic Acid(E)-methyl ester 3-phenyl-2-propenoic acidDumetorineZ-PP-CHO2,6-Diaminopurine 2',3'-dideoxyribosideGallic Acid(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-oneMG(0:0/PGD2/0:0)1-Deoxy-D-xylulose 5-phosphateDaprodustatAdrenic acidAlpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucoseValsartan AcidCytosine deoxyribonucleoside2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone7alpha,12alpha-Dihydroxycholest-4-en-3-oneRotundifolineN-Eicosapentaenoyl Glutamic acidMecapegfilgrastimPimobendan(E)-8-Hydroxy-2-octene-4,6-diynoic acidGlycochenodeoxycholate-3-sulfateCyclohexyladenosine3-epi-2-Deoxy-25-methyldolichosterone2(3H)-BenzothiazolethioneTezacitabine3beta,7alpha-Dihydroxy-5-cholestenoate17-Octadecynoic acidAlpha-Methyl-5-HT2-Methoxyhydroquinone sulfate1,7-Dimethyluric Acid7-beta-D-Glucopyranosyloxybutylidenephthalide(3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucosideL-3-(3-Hydroxy-4-pivaloyloxyphenyl)alanineGlycosmininePE(18:0/0:0)NorepinephrineSulfolithocholylglycineCorchorifatty acid FMetipranololN-Eicosapentaenoyl Proline3,8-Dihydroxy-9-methoxycoumestanVaranic acid5-Methyl-2-furanmethanethiol2,3-dinor Prostaglandin E1Trans-Aconitic AcidCyanofenphosM-Coumaric acid3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olidePE(18:1(9Z)/0:0)1-3-(4,5-dihydrofuranone)-5-(hydroxymethyl)-pyrrole-2-carboxyaldehydeLeucyl-Tryptophan1,2-Cyclohexanedicarboxylic acidMaleylacetoacetic acidN-Acetyl-9-O-lactoylneuraminic acid2-[(2S)-2,6-Diaminohexanoyl]oxyacetic acidNervonic acidTrinexapac-ethylPropan-2-yl 2-hydroxy-4-methylsulfanylbutanoateVal TrpBempedoic acidAchimilic acidN-Demethyl MifepristoneRibonolactoneNalidixic acid4-VinylphenolNimbolideValylhydroxyprolinePC(O-16:0/20:4(8Z,11Z,14Z,17Z))UrothionClavulanateThr-LeuProtocatechuic Acid(-)-cis-CarveolCromakalimIndoleacetic acid2,5-Octadien-1-olThymol SulfateMeOSuc-Ala-Ala-Pro-Val-PNAHv-NCC-1Ginsenoyne DHymenoxonN-AcetylhistidineDG(2:0/0:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))Orciprenaline4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-oneXanthineTocainide4-[(2R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]butanamideL-Glutamine(24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid1-(4-Fluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole7-Hydroxy-2',4',5'-trimethoxyisoflavanTubulin Polymerization Inhibitor15-Hydroxynorandrostene-3,17-dione glucuronide2-((3-Aminopyridin-2-yl)methylene)hydrazinecarbothioamide6-Pentyl-1,4-dioxan-2-one3,4-Methyleneazelaic acidP-Cresol glucuronidePE(16:0/20:3(8Z,11Z,14Z))Cibaric acid3-Cresotinic acidApigenin 7-O-diglucuronideLeucylphenylalanineLysoPI(18:1(9Z)/0:0)4-Hydroxymethyl Ambrisentan3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acidDifluprednateIndirubin-3'-monoxime3-Ethyl-5-hydroxy-4,5-dimethyl-pyrrolin-2-oneMatricinMethyl Chlorogenate3-Methyl-epicatechinPE-NMe(18:0/20:2(11Z,14Z))DG(10:0/17:0/0:0)GlutamylleucineIsoforskolin3-Hydroxysebacic Acid(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-oneModrastane1-Pyrroline-2-carboxylic acidGamma-L-Glutamyl-L-pipecolic acidPhosphorylcholineAlpha-Campholonic acidUndecanedioic acidN-Arachidonoyl ThreonineLysoPC(15:0/0:0)Malic Acid6-Hydroxymethylpterin8-Oxodiacetoxyscirpenol3,7-Dihydroxy-12-oxocholanoic acid2-MercaptobenzothiazoleN-Benzyl-D-glucamineSedoheptulose(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acidButyl 3-hydroxy-2-methylidenebutanoatePE(18:3/0:0)Orotic AcidIsoliensinineEsculentic acid (Phytolacca)7-Hydroxy-5-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one(2S,3R,4S,5R,6R)-6-Ethyloxane-2,3,4,5-tetrolTrihydroxystearic acidAminomethylphosphonic acidVestitoneTetrahydrogeranylgeranyl-PPD-Ornithine17a,20a-DihydroxycholesterolL-CoprineMetaxaloneDodec-9-enedioylcarnitine(-)-Epiafzelechin11-HpODEAmericanol APE(P-18:0/20:4)1beta-MethylcarbapenemCyclohexanecarboxylic acid(S)-2-Amino-3-(hydroxy(nitroso)amino)propanoic acid2,3,4,5-Tetrahydro-2-pyridinecarboxylic acidN-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide5-Hydroxy-L-tryptophanNon-6-enedioylcarnitineMethylmalonic AcidVanillinEnzastaurinTaurine glutamateHydroxydesmethylpiperine sulfate28-HomobrassinolideDisofeninAlpha-fenchyl alcoholalpha-1,3,3-trimethyl-norbornan-2-ol3-Isopropylmalic acid2-Naphthol sulfate11,12-DimethoxydihydrokawainDeoxyriboseP-CoumaraldehydeRiboflavinCarboquoneIsopropyl beta-D-glucosideC75 transDeoxyinosineTetramethylchromanol glucosideCoumarinic acidLoureirin D4'-ThiothymidineCaffeic AcidKaempferol 3-rhamnoside 4'-xyloside4-AllylpyrocatecholArabinogalactoseHexanoylglycine2-Ethyl-1-methylpyridin-4-oneTriticonazole4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acidStigmastanediolTrans-O-MethylgrandmarinSENECIPHYLLINE6-Hydroxyhexanoic acid7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-eneEthyl beta-D-glucopyranosideDL-2,5-DihydrophenylalanineTropinoneMethylphosphateKukoamine BAlpha-ZearalenolBz-Arg-OEt2-Methoxy-4-vinylphenolPhenylalanylasparagineL-Monomenthyl glutarateN-(p-Hydroxyphenethyl)actinidine15-Epi-lipoxin A43-(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile3-Ethyl-1,2-benzenediol5-Hydroxyindoleacetic acid2-Ethyl-5-methylfuranGlucosamineValaciclovirBUPROFEZIN(2xi,4xi)-4,4',5,7-TetrahydroxyflavanPantothenic AcidAbu-Leu-OH5'-Carboxy-gamma-chromanol3-EthylphenolKinetin-7-N-glucoside5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-oneSclareol9,10,13-TriHOME6H,8H-3,4-Dihydropyrimido(4,5-c)(1,2)oxazin-7-one2'-O-Methyladenosine13,14-Dihydro PGF-1aPanaxytriol9(S)-HpOTrE1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamideBisnoryangonin8-Hydroxy-5,6-octadienoic acidAstringinBaptifolineSantamarinL-Formylkynurenine3,5,7-Octatriyn-1-olPE(16:0/20:4(5Z,8Z,11Z,14Z))Glycyl-L-TyrosineDeoxycholic acid glycine conjugateCytochalasin BD-Gulono-1,4-LactoneIsopropyl 4-hydroxybenzoate5'-Hydroxy-3',4',7-trimethoxyflavan(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol3-trans-p-Coumaroylrotundic acidDihydro-3-coumaric acid3-(Benzylamino)-3-methylbutanoic AcidNepsilon-Acetyl-L-lysine2-Acetyl-1-ethylpyrroleThreonylcysteinePhenmediphamBiliverdin9-(Formyloxymethyl)-9H-fluorene-2-sulfonic acid(E)-10-Oxo-8-decenoic acid6-Bromo-L-tryptophan(1R,2S,3S,4R)-p-Menthane-2,3-diolPorsonEriojaposide BMethylisopelletierine1-beta-Hydroxyeuscaphic acid3-benzyl-4-hydroxy-5-(4-hydroxyphenyl)furan-2(5H)-oneN-Acetylaspartylglutamic Acid3-(Hydroxymethyl)-2-heptanone5-Megastigmen-7-yne-3,9-diolSylvopinolUridine9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acidImazamoxApigenidinL-Homocysteic acidAvenestergenin A1EnterodiolPolyporusterone F1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-Capsiate6-{3-[(Pyridin-2-yl)disulfanyl]propanamido}hexanoic acidTetrahydrofurfuryl acetateEquol5-Methyl-2-furancarboxaldehyde3,5,5-Trimethyl-2-cyclohexen-1-one4-Hydroxyproline galactoside13-Hydroxyabscisic acid(3R)-3,5-dihydroxy-3-methylpentanoylcarnitineLosartanLiquiritinLeucyl-GlutamateTyrosol 4-sulfate2-Methylidene-4-(oxiran-2-yl)butanoic Acid(S,S)-Nt-HistidinylalanineN-AcetyltryptophanIndanone8-Hydroxy-4',5,7-trimethoxyflavone4-TiglylcarnitineAmericanolRutarin5-Butyltetrahydro-2-oxo-3-furancarboxylic acidL-TyrosinePE(16:0/20:4(8Z,11Z,14Z,17Z))BaicaleinUric AcidIneketone27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol2-O-Methyl-L-fucoseSucrose4-Hydroxyphenylacetic AcidNitro-D-arginineArginylhistidineGibberellin A86Fallypride2-(4-Methoxyphenyl)ethyl hydrogen sulfate3,4-dihydroxyphenylacetic AcidTryptophyl-HistidineIsofraxidinThiodiacetic Acid2-ThiophenecarboxaldehydeCephaelineDG(15:0/18:1(9Z)/0:0)6-O-AcetylarbutinGibberellin A91LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone1b,3a,7b-Trihydroxy-5b-cholanoic acid2-Methoxy-3-(4-methoxyphenyl)propanoic acidButofilolol3-[4-(sulfooxy)phenyl]propanoic acidN-(2-Furoyl)glycinePerindopril7-HydroxyoctanoylcarnitineSerylvalineDG(6 keto-PGF1alpha/0:0/2:0)Secoeremopetasitolide API(18:0/20:3(6,8,11)-OH(5))N-alpha-Benzoyl-L-arginine1H-Imidazole-4-carboxamidePaeonolTriptohypol FPhenylalanylthreonineN-(4-Aminobutyl)-N-ethylisoluminolGcdcsVal-pro-proGibberellin A591-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetateD-XyluloseVicrivirocCurvulinic acid (2-Acetyl-3,5-dihydroxyphenyl)acetic acidIsoleucyl-Asparagine4-Butyloxazole2,3-DihydroxycarbamazepineHydroxypelenolideGlabric acidGibberellin A74Y1 Receptor antagonist 1Gibberellin A75LicheninFormiminoglutamic acidN-AcetylleucineCimifuginBenzyl sulfateErinacine C9-Tetradecenoic acidHeliotridineDeoxycholic acid 3-glucuronideLeucyl-TyrosineOsmundalactoneTubocurarine1-IpomeanolCortisol4-Amino-4-deoxyarabinose10,20-Dihydroxyeicosanoic acid2-Methyladipic acidCytidine, 2'-deoxy-2',2'-difluoro-N-(1-oxo-2-propylpentyl)-Gamma-Glutamylmethionine5-MethyldeoxycytidineUrobilinDihydroartemisinin (DHA)Bruceine D(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-oneJasmonic acidL-Tyrosine ethyl esterNikkomycin3-Phenylpropyl acetateBenzyl cinnamateDG(18:3(9Z,12Z,15Z)/14:0/0:0)Ethyl 3-aminobenzoateDiacetone AlcoholDehydrovomifoliolNorscopolamineLysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)5-Hydroxyindolin-2-one sulfate4,5-Dinitro-7,8-dithiabicyclo[4.2.0]octa-1(6),2,4-triene-2-carboxylic acidAcetaminophen glucuronideN-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamideBeta-D-ribosylnicotinateL-LysinePhenoxyacetic acid5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavoneImazamethabenz-methyl1-Methylhistidine18-hydroxyoleate7a-Hydroxyandrost-4-ene-3,17-dioneN-(3-(Dimethylamino)propyl)acrylamideEugenol1,5-Dibutyl methyl hydroxycitrateDexelvucitabineBenzenesulfonamideLysoPE(P-18:0/0:0)Prenyl cis-caffeate5-(4-Methyl-5-Oxo-2H-Furan-3-Yl)Pentanoic Acid2-dehydropantoate3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate19(S)-HETECaffeic acid esterNeotussilagine8-Hydroxy-4(6)-lactarene-5,14-diolGuanadrelN-Palmitoyl ThreonineTraumatic Acid5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl esterCombretastatin4-Methyl-5-oxo-2-pentyl-2,5-dihydro-3-furancarboxylic acidGlutarimideH-D-Asp(OtBu)-OH8,9-Dihydroxy-1,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3(2H)-onePunicic acidGamma-Glutamylfelinylglycine2-Amino-4-[carbamimidoyl(methyl)amino]butanoic acid3-Hydroxy-2-octanonePE(18:2(9Z,12Z)/18:0)HydroxyzineLigustilideGlu-val-phe3-Amino-4-hydroxybenzoic acid4-DimethylaminocinnamaldehydeL-beta-aspartyl-L-phenylalanine2',3'-Didehydro-2',3'-dideoxyguanosineRiociguatValylglutamic acid(R)-HigenamineLysoPE(0:0/18:0)Acetylshikonin5'-Hydroxy-3'-methoxysativanMethyl 3,4-dihydroxy-5-prenylbenzoate 3-glucosideCitramalic AcidBay-41-85434-Hydroxy-2-butenoic acid gamma-lactoneSuprofenDG(15:0/18:3(9Z,12Z,15Z)/0:0)Cyamemazine(R)-2-(4-(Tert-butoxycarbonyl)morpholin-3-yl)acetic acid(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetateSugeonolPhomalonePhenylalanylleucineLisinopril5'-(3',4'-Dihydroxyphenyl)-gamma-valerolactone sulfateBarbituric acidAdrenochrome o-semiquinoneN-lactoyl-phenylalanineL-Arginine, L-asparaginylglycyl-20-Hydroxy-leukotriene E4PentostatinThreonylglutamic acidEstazolamL-EpicatecholFormycin bTuliposide AACEXAMIC ACIDDihydronaringenin-O-sulphateRicinoleic acidMethyltrienolone6-Ethylchenodeoxycholic acid1-(3-Pyridinyl)-1,4-butanediolNevskin3-O-beta-D-Galactopyranosyl-L-arabinoseEptifibatideAustalide LHomopisatinResiniferatoxinAustalide KMabuterolNicotine glucuronideNitrendipine M (dehydro)5-(4-Carboxybutylperoxy)pentanoic acidAspirin1-[(2R,4R,5R)-5-(Aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione2,3-Dihydroxypropanamide4,5Dimethyl-3-(2-oxo-2-phenyl-ethyl)-thiazolePhenylacetylglycineGalactinol2-Keto-3-Deoxy-D-Mannooctanoic Acid2-(3-Mercaptopropyl)pentanedioic acid5-Fluorodeoxyuridine monophosphateZeranolBenzylpenicilloyl GPretyrosineCyanopindololNeotigogeninMolinateNeotussilagolactone2-Furancarboxylic acidValylisoleucineN1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole4-Hydroxy-3-methoxybenzenemethanolPlumierideCedrolN-Acetyl-DL-PhenylalanineBergamottinEtoricoxibHomovanillic AcidKievitone hydrateCarmofurBeta-N-Acetylglucosamine(1S)-(-)-Camphanic Acid8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acidBisindolylmaleimide iDG(a-13:0/0:0/5-iso PGF2VI)3-O-(4-O-Methyl-a-D-glucopyranuronosyl)-L-arabinose6-Ketomyristic acidCitric AcidAlpha-Linolenic acidPeperinic acid(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid5-AminoisoquinolineAsparaginyl-PhenylalaninePonasterone ACis-p-Coumaric acid(9S,10S)-9,10-dihydroxyoctadecanoateCoumarinO-TyrosineHBOA trihexoseCis-3-Hexenyl hexanoate6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidMyricatomentoside ISepiapterin(1'R)-Nepetalic acid3,17-Androstanediol glucuronideQuinol glucuronidePsilocybineVenoterpineNPCCyperolone23-trans-p-Coumaroyloxytormentic acidCarveolGamma glutamyl ornithine9-F1-phytoprostanePC(16:0/18:3(9Z,12Z,15Z))2,4'-DihydroxyacetophenoneSulcatoneApotrichodiolNormethandroneGibberellin A15Threonic Acid3-Deoxyglucosone2'-Fluoro-2',3'-dideoxyadenosinePhosphonoaminocarboxylic acidDe-O-methylsimmondsinN-Succinyl-L,L-2,6-diaminopimelate6-Fluoro-1-methyl-1,4-dihydro-7-(1-piperazinyl)-4-oxoquinoline-3-carboxylic acid[(2S)-6-Amino-1-methoxy-1-oxohexan-2-yl]carbamic acidPhosphoramidonFADORTHOTHYMOTINIC ACIDGibberellin A36(S)-Mandelic acid O-beta-D-GlucopyranosideAtrovirinone(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-oneVanillyl mandelic acid17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetateEthylenediamine-N,N'-diacetic acidGibberellin A29EnalaprilatTaraxacosideSec-o-GlucosylhamaudolL-Serine2-hydroxy-3-(sulfooxy)benzoic acidHomocysteineLysoPE(20:0/0:0)2-PyrrolidinoneGanoderiol GDihydroprudomeninBenzeneacetamide-4-O-sulphate1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dioneGanoderiol CGamma-GlutamyllysineIcariside B8(3S)-3-hydroxycyclocitralGanoderiol I1,3-Bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-oneN-hydroxyl-tryptamine(R)-2-Benzylsuccinate2-(Methylamino)benzoic acid5-Aminovaleric Acid2-[3-(sulfooxy)phenyl]acetic acidDelta9-Tetrahydrocannabinol hemisuccinateDodeca-3,6,9-trienedioylcarnitine5-Hydroxy-p-mentha-6,8-dien-2-oneArteminMono-benzyl phthalateThreonylisoleucineLys Ala Glu AspNootkatolN-AcetylprolineVanillylmandelic acidTryptophyl-Isoleucine(S)-Verimol F2-Hydroxystearic acidP-Menthane-3,8-diolN-Acetylhistamine(2R,3S)-2,3-dimethylmalateLucidone CHomovanillic acid sulfateFludrocortisonePtelatoside ADimethyl phthalateN2-FructopyranosylarginineAnacardic acidAcrylamide(5R)-5-Hydroxyhexanoic acidRhodamine 110Pasakbumin-ATyrosyl-IsoleucineChavicolVinyl caffeateCappariloside AOxaluric acid3,4-Methylenedioxyamphetamine3,4-MethylenedioxybenzaldehydePentalenic acid4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-oneHomodolichosteroneMethyl sulfateGinsenoside F1Elenaic acidN-Palmitoyl Asparagine3,4-Dihydro-2H-1-benzopyran-2-oneGingerolOvalicin1-FurfurylpyrrolidineN-Acetyl-L-Glutamic AcidAcetylcholineExo,exo-1,8-Epoxy-p-menthane-2,6-diol1,4-Cyclohexanedicarboxylic AcidMethyl helianthenoate A glucosideTilisolol(+/-)-PelletierineTetradeca-5,7,9-trienoylcarnitineDesacetyllevonantradol9-Amino-1,2,3,4-tetrahydroacridin-4-ol2-Amino-4-oxopentanoic acid3-(2,5-dimethoxyphenyl)propanoic acidThreonylarginineGluconic AcidN-(p-Coumaroyl) SerotoninLysoPE(18:2(9Z,12Z)/0:0)LactitolChenodeoxyglycocholic acid2-[(E)-2-(3-Nitrophenyl)vinyl]quinolineDocosanedioateSucrose, 1-laurateGlycylprolylarginineAlanylprolineVal-Ser-OHN-PhenylglycineL-Aspartic AcidMandelic acid3-hydroxytridecanoic acid2-Isopropyl-5-methylphenol acetateGlycochenodeoxycholic acid 3-glucuronideCarboxin1-Pyrroline-5-carboxylic acidN-Acetyltyrosine(R)-2-Hydroxystearic Acid2-((3,5-Dihydroxyphenyl)amino)acetic acid6-Hydroxyindoxyl sulfateNicotinic AcidFerulic acid 4-O-sulfateDodec-2-enedioylcarnitineErianinMitragynineTyrosine-tyrosinate7-Hydroxyoct-4-enedioylcarnitineD-Glucuronolactone(2r,3r,4s,5r,6s)-2-(Hydroxymethyl)-6-Sulfanyl-Oxane-3,4,5-TriolAspartyl-Tryptophan3-Carboxy-4-Methyl-5-Propyl-2-Furanpropanoic AcidRaffinoseDihydrodiethylstilbestrolCynaropicrin(4S)-4-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone17-DihydroexemestaneGlycyl-MethionineIsocoumarinSalicyluric acidHT-2 Toxin4,5-Dimethyloxazole2',4'-DihydroxyacetophenonePeroxysimulenolineAcebutololHarmalan3-Amino-5-hydroxybenzoic acidZANOTERONEGlucosylgalactosyl hydroxylysine2-Hydroxymyristic AcidN-Linoleoyl Serine4-Nonylphenol(S)-2,3-dihydrodipicolinateSM(d18:2(4E,14Z)/16:0)(1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylateArbaprostilTyrosine lactatefalseFamily-based multi-omics reveal gut dysbiosis and circulatory metabolic disruption in amyotrophic lateral sclerosisBackground: Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disorder with unclear etiology and no effective cure. Accumulating evidence implicates gut microbiota dysbiosis and circulatory metabolic al-terations in ALS pathogenesis, potentially driving disease progression and severity.Methods: We enrolled 36 ALS patients and 32 healthy household relatives of these ALS patients as controls to minimize environmental confounders. Fecal (n=61) and serum (n=68) samples were analyzed using metagenomic sequencing for gut microbiota composition and untargeted metabolomics for fecal and serum metabolic profiles. Statistical and machine learning approaches, including principal coordinate analysis (PCoA), linear discriminant analysis effect size (LEfSe), and random forest modeling, identified differentially abundant taxa, metabolites, and biomarkers.Results: ALS gut microbiota showed distinct beta diversity but unchanged alpha diversity. Pathogenic Proteobacteria (Enterobacteriaceae, Desulfovibrioaceae) increased, while beneficial Faecalibacterium and Clostridium decreased. A random forest model identified 20 microbial genera (AUC=0.89) and species (AUC=0.92) as ALS biomarkers. Microbial functions indicated hyperactive carbohydrate and amino acid metabolism and suppressed fatty acid metabolism. Fecal metabolomics revealed 722 altered metabolites (670 downregulated, e.g., lipids; 52 upregulated), disrupting phenylpropanoid biosynthesis and linoleic acid metabolism. Serum metabolomics showed lipid and choline metabolism perturbations. Reduced creatine and 2-hydroxybutyrate correlated with lower ALS Functional Rating Scale-Revised scores, while elevated diacylglycerols tracked disease severity. Symbiotic network analysis linked pathogenic Erysipelatoclostridium to reduced beneficial metabolites. Eubacterium was a central node, influencing metabolomes and BMI, with higher BMI correlating with Firmicutes enrichment (e.g., Ruminococcus).Conclusion: ALS patients exhibit gut microbiota dysbiosis and circulatory metabolic disruptions, shaped by host factors like BMI and disease severity, correlating with disease progression. The microbiota-metabolite axis, elucidated through multi-omics and network analyses, offers targets for non-invasive biomarkers and therapies like microbiota modulation.2026-04-072025-11-10MTBLS13295