Metabolite annotation and identification were performed using MS-DIAL version 4.9.221218. Metabolites were identified against the Personalbio Next-Generation Metabolomics Database (PSNGM), which integrates an in-house authentic standard library, mzCloud, LIPID MAPS, HMDB, MoNA, NIST_2020_MSMS and an AI-predicted MS/MS spectral library. The main identification parameters were: MS1 tolerance for identification, 0.01; MS2 tolerance for identification, 0.05; smoothing level, 3; minimum peak height, 10,000; minimum peak width, 5; mass slice width, 0.05; and identification score cut-off, 70.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reversed-phase-c18","Liquid Chromatography MS - positive - reversed-phase-c18"],"chromatography_protocol":["Chromatographic separation was performed using a Thermo Vanquish Flex UHPLC system equipped with an ACQUITY UPLC HSS T3 column (100 Å, 1.8 μm, 2.1 mm × 100 mm). The flow rate was 0.4 mL/min, the column temperature was maintained at 40°C, the autosampler temperature was 8°C, and the injection volume was 2 μL. Mobile phase A consisted of water containing 0.1% formic acid, and mobile phase B consisted of acetonitrile containing 0.1% formic acid. The gradient was programmed as follows: 0 min, 5% B; 1 min, 5% B; 4.7 min, 95% B; 6.0 min, 95% B; 6.1 min, 5% B; and 8.5 min, 5% B.
"],"publication":["Sex-Driven Differences in the Rumen Microbe-Metabolite-Epithelial Transport Axis: An Integrated Multi-Omics Study of Rumen Function in Male and Female Zhongwei Goats."],"submitter_affiliation":["Gansu Agricultural University"],"submitter_name":["Wei Huang"],"organism_part":["rumen fluid"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Approximately 40 mg of each sample was transferred into a 2 mL centrifuge tube. A total of 300 μL pre-cooled methanol containing 5 ppm L-2-chlorophenylalanine was added together with two steel beads, followed by vortex mixing for 30 s. Samples were homogenized at 55 Hz for 60 s, and this homogenization step was repeated once. The samples were then sonicated for 10 min and incubated at -20°C for 30 min. After centrifugation at 12,000 rpm and 4°C for 10 min, the supernatant was filtered through a 0.22 μm membrane and transferred into LC-MS sample vials. A pooled QC sample was prepared by mixing 10–20 μL of filtrate from each biological sample for evaluation of instrumental stability and data quality.
"],"organism":["Capra hircus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15319"],"author":["Wei Huang. Gansu Agricultural University. 18294737108@163.com."],"data_transformation_protocol":["Raw .raw files were imported into MS-DIAL version 4.9.221218 for peak detection, peak alignment, filtering and data processing. Features with more than 50% missing values within all groups were filtered. Missing values for undetected features were imputed, and the resulting data were normalized for subsequent relative quantitative analysis.
"],"study_factor":["Treatment"],"submitter_email":["18294737108@163.com"],"sample_collection_protocol":["Rumen fluid samples were collected from male and female Zhongwei goats for untargeted LC-MS metabolomics analysis. Samples were compared according to sex. No additional experimental treatment was specified. The exact collection time point and pre-extraction storage conditions were not documented in the supplied records.
"],"omics_type":["Metabolomics"],"study_design":["Capra hircus","Rumen microbiota","Metabolomics","Thermo Orbitrap Exploris 120","untargeted analysis","rumen fluid","Transporter genes","Thermo Vanquish Flex"],"curator_keywords":["Capra hircus","Rumen microbiota","Metabolomics","Thermo Orbitrap Exploris 120","untargeted analysis","rumen fluid","Transporter genes","Thermo Vanquish Flex"],"mass_spectrometry_protocol":["Mass spectrometric analysis was performed using a Thermo Orbitrap Exploris 120 high-resolution mass spectrometer controlled by Xcalibur software version 4.7. Data-dependent acquisition (DDA) was performed in both positive and negative ion modes using a heated electrospray ionization (HESI) source. The spray voltage was 3.5 kV in positive ion mode and -3.0 kV in negative ion mode. The sheath gas flow was 40 arb and the auxiliary gas flow was 10 arb. The capillary temperature was 320°C and the auxiliary gas heater temperature was 300°C. Full MS spectra were acquired over an m/z range of 70–1000 at a resolution of 60,000 with AGC Target set to Standard and a maximum injection time of 100 ms. The four most intense precursor ions were selected for MS/MS fragmentation. Dynamic exclusion was set to 4 s. MS/MS spectra were acquired at a resolution of 15,000 using HCD with a normalized collision energy of 30%, AGC Target set to Standard, and maximum injection time set to Auto.
"],"metabolite_name":["Soyasapogenol B 3-O-b-D-glucuronide","1H-Indol-5-ol, 3-(2-amino-1-methylethyl)-","2-Bromo-4-fluoro-5-nitrobenzoic acid","2-(Acetylamino)hexanoic acid","2,2-Dimethylpentanedioic acid","7-O-acetyl-6-epi-19,20-epoxycytochalasin P","alpha-Carboxy-delta-decalactone","3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid","Isorhamnetin-3-glucoside","16-F1-PhytoP","14,15beta-Dihydroxyklaineanone","3b,8a-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8-olide","Demethyltorosaflavone C","Piceatannol","N-Acetyldopamine","13(S)-HOTrE","Valylglycine","2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine","3-[Bis(4-methoxyphenyl)methylidene]-1H-indol-2-one","ethyl 3-cyano-6-methyl-2-(phenylthio)isonicotinate","3-Amino-3-(3-bromo-4-fluorophenyl)propanoic acid","3-carboxy-4-methyl-5-(1-hydroxypropyl)-2-furanpropionic acid","Uridine 2',3'-cyclic phosphate","3-Acetoxy-palmitic acid","3-Chlorocarbazole","1-Naphthalenesulfonyl chloride","3-(5-(4-(1H-Imidazol-1-yl)phenyl)-1-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-2-yl)propanoic acid","15-hydroxy-pentadecanoic acid","Cirsilineol","Angelicin","2-Bromo-5-fluorobenzoic acid","3-Hydroxypyridine","hydroxyoxazolone","(2S,3R,4R)-2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid","4-Methyl-N-(phenylcarbamoyl)benzenesulfonamide","(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoic acid","2,4-Bis(2-phenyl-2-propanyl)phenol","Hydroxyferulic acid","5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone","N-acetyl-5-aminosalicylic acid","3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone","Furoventalene","D-Glucuronic acid","1,2-Epoxy-10(14)-furanogermacren-6-one","Isothankunic acid","Licocoumarin A","2,5,7,9,10-pentahydroxy-4,8,12,17-tetramethyl-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadec-12-en-16-one","Porric acid A","Heptadecadienoic acid","Porric acid C","Norwedelic acid","8,11,13-Trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione","(R)-Rhazinilam","1,4abeta,7alpha,8abeta-Tetramethyl-3alpha,4beta,5beta,10alpha-tetrahydroxy-6alpha,8alpha-(epoxymethano)-3,4,4a,4balpha,5,6,7,8,8a,9,10,10aalpha-dodecahydrophenanthrene-9,11-dione","Monic acid","Inproquone","5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid","Maximaisoflavone E","3-[7-hydroxy-4,6-dimethyl-4-(3-methylidenepent-4-en-1-yl)-1,2,3-trithiocan-5-yl]prop-2-enoic acid","11-Methoxy-1H-naphthridino[6,5,4-def]quinoxalin-2(3H)-one","Pyrroline hydroxycarboxylic acid","TOFA","(8S,11R,13R,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one","Mevalonic acid","2'-O-Methylguanosine","Soyasaponin Bb","N-Gluconyl ethanolamine phosphate","1,3,8-trihydroxy-6-[(2s)-2-hydroxypropyl]anthracene-9,10-dione","(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid","Avenic acid A","3-Hydroxy-2-methylpyridine-4,5-dicarboxylate","LysoPE(15:0/0:0)","(2E)-4-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl beta-D-glucopyranoside","2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside","Mussaenosidic acid","Altenusin","Riboflavin-5'-monophosphate","Tetrahydrocorticosterone","Ponganone X","3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol","(+/-)12(13)-DiHOME","Lonchocarpenin","7-O-Methylpeltogynol","Deshydroxyethoxy Ticagrelor","3-methylflavone-8-carboxylic acid","Caffeic acid","Loxoprofen","URIC ACID","Gln-Leu","gamma-Glutamylphenylalanine","2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one","Mulberroside A","gamma-Glu-Glu","Nanonorcaryophyllene B","tetranor-PGFM","PE(12:0/0:0)","3-Hydroxydodecanedioic acid","Cartorimine","Pyrenedecanoic acid","5-[[5-[[5-(Pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]pyrrole-2-carboxylic acid","2,9;-DEOXYGUANOSINE","2-Propylglutaric acid","6-Nitrochrysene","1,2-O-Isopropylidene-D-glucofuranose","Zaldaride","3-Methylazelaic acid","Hydroxytanshinone","Leu-Val","Xanthurenic acid","[(1R,2S,4S,5S,9R,10S,11R,13R)-11-acetyloxy-2-hydroxy-5,9-dimethyl-14-methylidene-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate","5-Hydroxyferulic acid","(3R)-3alpha,7beta-Dimethyl-6-(3-oxobutyl)-3,3aalpha,4,7,8,8abeta-hexahydro-2H-cyclohepta[b]furan-2-one","Aristolic acid","19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid","Diplodiatoxin","1-(Carboxymethyl)cyclohexanecarboxylic acid","[2,5,5,8a-tetramethyl-6-oxo-2-(2-oxopropanoyl)-hexahydronaphthalen-1-yl]acetic acid","Niraxostat","Xanthotoxol glucoside","2-Iodomelatonin","6-oxo-4E-octadecenoic acid","trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid","2-oxophytanic acid","11(Z),14(Z)-Eicosadienoic Acid","Phthalic acid","2,3-Diphenylpyrazine","alatolide","Antalarmin","Estradiol 17-sulfate","methyl 2-[(1r,3s,6s,10e,14s)-6-hydroxy-6,10,14-trimethyl-7-oxo-15-oxabicyclo[12.1.0]pentadec-10-en-3-yl]prop-2-enoate","5-Hydroxy-3,6,7,8-tetramethoxyflavone","1-hydroxyoct-2-enoylglycine","Fulvinervin C","Brassylic acid","methyl (5s,11s)-3-methyl-7,10-dioxo-11-(prop-1-en-2-yl)-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),2,8(17),13-tetraene-14-carboxylate","2-Furanbutanoic acid, a,g-dioxo-","leu-gly-leu","Isorhamnetin","2,3-Secoporrigenin","4,5-Dihydroxyphthalic acid","Nebadensin","Purpuritenin B","1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid","(+/-)9(10)-EpOME","Asparaginyl-Valine","Flaviolin","Caulibugulone D","2,3-Dimethoxy-5-methyl-6-(9'-carboxynonyl)-1,4-benzoquinone","Pterosin E","Petalopurpurenol","cis-Isoferulic acid","4-Formylsalicylic acid","PGF2alpha-1,15-lactone","N-Myristoyl Histidine","1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone","Lactamide","Panepoxydione","Cridanimod","2(R)-hydroxydocosanoic acid","Tiaprost","Codeine N-oxide","Quiflapon","Phenylalanylglycine","AURICULATIN","4-Hydroxybutyric acid","Sulfasalazine","Glutaminylarginine","8,8a-Deoxyoleandolide","TRIOXIFENE","Fraxetin","3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one","(E)-Ethyl caffeate","PE(15:1(9Z)/0:0)","Aflatoxin G2a","6a,7,8,12a-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione","PE(14:0(13Me)/0:0)","3-[(phenylsulfonyl)amino]benzenesulfonamide","ethyl 4,8-dihydroxy-2,14-dimethyl-13-(6-methylheptan-2-yl)-5-oxotetracyclo[7.7.0.02,6.010,14]hexadec-6-ene-4-carboxylate","4-Methyl-3-(trifluoromethyl)benzoic acid","5-HYDROXY-3,4-DIHYDRO-1H-QUINOLIN-2-ONE","15-hydroxydeltoidin A","(+/-)-3',4'-Methylenedioxy-5,7-dimethylepicatechin","3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan","3-Hydroxytetradecanedioic acid","2-Hydroxydecanedioic acid","5-ethyl-5-methyl-2,4-oxazolidinedione","4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol","(R)-3-Acetyl-4-(E)-4-(2R,5S,6Z,10Z)-5,10-Dimethyl-12-Oxooxacyclododeca-6,10-Dien-2-Yl)But-2-Enoyl)Thiazolidin-2-One","Triamcinolone","3-Hydroxybutyric acid","14-deoxy-12(R)-sulfoandrographolide","7,10-bis(acetyloxy)-2-hydroxy-8,11,11-trimethyl-3-methylidenetricyclo[6.3.0.02,6]undecan-4-yl acetate","(2xi,20beta)-2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid","Benzoic acid","Aervecdysteroid B","Norselic acid B","2,4-Bis(4-hydroxyphenyl)-3-(methoxycarbonyl)cyclobutanecarboxylic acid","(5S,8R,13S,16R)-(-)-Pyrenophorol","2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid","Tetradecanedioic acid","Oleanolic acid","cis-3,4',5-Trimethoxy-3'-hydroxystilbene","O-Acetylserine","Hydroxydesmethyltetrahydropiperine sulfate","Lycocasuarinen acid E","D-(+)-Glucose","Lycocasuarinen acid B","Petasitin","N-Acetyl-L-tyrosine","Cirsiliol","QUINIC ACID","gamma-Glutamylleucine","12-oxo Phytodienoic Acid","4-[2-(4-Morpholinyl)ethoxy]benzoic acid","N-ACETYL-L-PHENYLALANINE","(1s,5r,6s,9s,11r,14r,15s,18s,21s)-6,10,10,14,15,18,21-heptamethyl-4,22-dioxo-23-oxahexacyclo[19.2.1.01,18.02,15.05,14.06,11]tetracos-2-en-9-yl acetate","Idronoxil","N-Undecanoylglycine","Diferuloylputrescine","3-Hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazole","6beta-Hydroxy-3-oxo-12-oleanen-28-oic acid","4-Bromomandelic acid","3-O-Methylcoumestrol","(10S,13S,16S)-d14-9-PhytoF[9R,12R]","p38 MAP Kinase Inhibitor","9a,11a-dimethyl-1-(5-methylhex-3-en-2-yl)-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-diol","Cerarvensin","Geranyl acetate","Quinidine N-oxide","Broussoflavonol A","2-Ethoxy-4-(methoxymethyl)phenol","Succinic anhydride","Liarozole","4',6'-Dihydroxy-2'-methoxyacetophenone 6'-glucoside","methyl (2r,3r,7z,9s)-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),7,11-tetraene-12-carboxylate","methyl (1R,4aR,4bS,8aR,10aR)-1,4a,8-trimethyl-6-oxo-3,4,4b,5,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate","Katononic acid","(+/-)-3-Hydroxynonanoic acid","Malabaricone C","Malabaricone B","Cycloalliin","Lucidenic acid D1","tibric acid","2-Hydroxydodecanoic acid","6-Isopropoxy-9-oxoxanthene-2-carboxylic acid","epsilon-(Carboxymethyl)lysine","Eriodictyol","PI(P-20:0/22:0)","PG(19:1(9Z)/0:0)","harpagide","PS(20:1(11Z)/0:0)","6,9R,10S-trihydroxy-7E12Z,15Z-octadecatrienoic acid","Xanthosine","(3R,3aS,6E,10E,11aS)-3-(methoxymethyl)-6,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one","ATPO","val-phe","PA(8:0/a-13:0)","Norgestrel","Cynaroside","2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one","prexasertib","LF","5,8,12-Trihydroxy-9-octadecenoic acid","18-methyl-5Z,9Z-eicosadienoic acid","Tephrosol","11-cycloheptyl,2R-hydroxyundecanoic acid","Felbinac ethyl","5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone","(2R)-2,3-dihydroxy-1-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-one","2-Hydroxyxanthone","3',5-dihydroxy-3,4',5',7-tetramethoxyflavone","Tauroursodeoxycholic acid","Pipercide","Adenosine 3'5'-cyclic monophosphate","Oregonin","2'-Deoxyuridine","Dysideanone B","Verimol B","(2e,6r)-2-methyl-6-[(1s,2r,3r,4r,11s,15s)-4-methyl-12-methylidenetetracyclo[9.4.0.02,4.03,8]pentadec-7-en-15-yl]hept-2-enoic acid","L-SORBOSE","Diabolic acid","3-Hydroxy-2-methylbenzoic acid","N-Undecylbenzenesulfonic acid","Dibutyl malate","Bisphenol B","2-Hydroxyenterolactone","Orientin","Psilostachyin","Monobutyl phthalate","2,9-dihydroxy-11-(hydroxymethyl)-8,11-dimethyl-3-methylidenetricyclo[6.3.0.02,6]undecan-4-yl acetate","(2S)-2-(3,8-Dimethylazulen-5-yl)propanoic acid","Nonadecandioic acid","[(1r,2s,4r,6r,7r,11s,14s)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxidanesulfonic acid","Ceriporic acid A","3a-hydroxy-1,9,9a-trimethyl-1h,2h,4h,5h,8h,9h,9bh-naphtho[2,1-b]furan-7-one","3',7-Dihydroxy-4',8-dimethoxyisoflavone","PG(P-20:0/0:0)","Glyoxylic acid","Sibiricose A3","Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-","13,16-Epoxy-7,12-dihydroxy-9Z-octadecenoic acid","Allopurinol riboside","Resiquimod","NORETHINDRONE SULFATE","D-(-)-Ribose","alpha-Acetyllysine","(-)-5-oxo-1,2-campholide","Glycyrrhizaisoflavone B","BAPTA","(1S,5R,6R,14R,15S,17R,22S)-5,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione","FA 18:2+2O","DL-Amethopterin","2-Methyl-3-buten-2-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","Rilmakalim","16alpha-hydroxygypsogenic acidid","PKDdiA-PA","Gentiside C","2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine","purvalanol A","Thymine","3,4-dimethyl-5-carboxyethyl-2-furanhexanoic acid","Docosanedioic acid","Vicenin 2","3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone","alisol F","6-Benzyl-2-(tert-butyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione","(1R,3S,5E)-5-[(2E)-2-[(1R,3As,7aR)-1-[(2R,3E,5E)-7-hydroxy-5,7-dimethylocta-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol","Caffeic acid 4-O-sulfate","Rolapitant","trans-Piceatannol","4-hydroxy-tridecanoic acid","3',4',7-Trihydroxyflavone","Superecdysone F","(10S)-hydroxymorphine","Arjungenin","Histidylproline diketopiperazine","5-5'-Dehydrodiferulic acid","triflusulfuron-methyl","2-[(4-{[4-(2h-1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino}-1-methyl-5-oxoimidazolidin-2-ylidene)amino]ethanesulfonic acid","2-Chloro-L-alanine","Ptilometric acid","4',3''-Di-O-Methylapocynin-B","LysoPE(18:3(9Z,12Z,15Z)/0:0)","bufalin","12(13)Ep-9-KODE","Chrysosplenol D","vanillyl mandelic acid","8-Amino-7-oxononanoic acid","Acorafloxacin","{5-hydroxy-6,10-dimethoxy-4-oxo-2-propylbenzo[h]chromen-8-yl}oxidanesulfonic acid","(3beta,15alpha,22S,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid","5-L-Glutamyl-taurine","1D-myo-Inositol 1,4,5,6-tetrakisphosphate","Sauchinone B","4-(7-Hydroxy-4-oxo-4H-chromen-3-yl)phenyl hydrogen sulfate","Naematolone","Luteolin 4'-sulfate","Febuxostat","Hispidulin","3-iodo-2E-acrylic acid","4-Oxoproline","4-[(S)-Amino(carboxy)methyl]-3-methylbenzoic acid","Fucose 1-phosphate","2-(3,4-Dichlorobenzoyl)benzoic Acid","N1-methyl-5-methoxy-2-({2-[(methylamino)carbonyl]phenyl}thio)benzamide","6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione","(3S)-4-[[(1S)-1-Carboxy-2-phenylethyl]amino]-3-[8-(diaminomethylideneamino)octanoylamino]-4-oxobutanoic acid","2-hydroxy-heneicosanoic acid","PHOSPHONOBUTANETRICARBOXYLIC ACID","2-Methoxyhydrocinnamic acid","2-Oxoglutaric acid","Azepexole","Sinulasterol G","3-Hydroxydodecanoic acid","(2S)-3-hydroxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one","4-(7-Hydroxy-6-methoxy-4-oxo-4H-chromen-3-yl)phenyl acetate","N-(2-Phenylethyl)-7H-purin-6-amine","(+)-(5S,8R,9R,10S,13R)-8-Hydroxylabdan-15-Oic Acid","Azapropazone","Deca-2E,4E-dienoic acid 4-hydroxy-2-phenylethylamide","2',3-Dihydroxy-4,4',6'-trimethoxychalcone","Notoamide R","Decyl sulfate","Baohuosu","Notoamide J","Chloro 2,2-dichloroacetate","Batatasin I","1-Heptadecanoylglycerophosphoethanolamine","Gentisic acid","Taraxacine","5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone","L-Tryptophan","Benzyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside","Dulxanthone F","Withaferin A","Parvisoflavone A","Medicagol","Conidendrin","Nigellicine","2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-chromen-4-one","1-(9Z,12Z,15Z-Octadecatrienoyl)-2-hydroxy-sn-glycero-3-phosphocholine","4-Hydroxycoumarins","Thymidine 5'-monophosphate","N-Dodecanoyl-N-methylglycine","Cyheptamide","Edgeworoside A","3',4'-Dihydrooxepino-6'-hydroxybutein","2-{(E)-[(6-Carboxyhexanoyl)hydrazono]methyl}benzoic acid","1,2-Cyclohexanedicarboxylic acid, 4-methyl-","Pantothenate","C19 Sphingosine-1-phosphate","methyl 5-(tert-butyl)-3-{[(4-chlorophenyl)sulfonyl]methyl}thiophene-2-carboxylate","16beta-Hydroxystellatogenin","(4s,5s)-4-hydroxy-4-(hydroxymethyl)-5-[(2e)-1-hydroxypenta-2,4-dien-2-yl]cyclopent-2-en-1-one","6,18,19-Trihydroxytrachyloban-2-one","[6]-Gingerol","7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid","Orthosiphol M","2-oxo-undecanoic acid","9-Chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine","PKODiA-PA","Rhein","Dryopteric acid","Linsitinib","Artonol D","7-Epi-12-hydroxyjasmonic acid","Ostruthin","8-(3-Oxo-1-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one","N-Acetylaminooctanoic acid","Creatine","9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione","Tutin","6-(4-methoxyphenyl)pyrimidine-2,4-diamine","14-Fluoro-6-thiaheptadecanoic acid","Inosinic acid","1-stearoyl-sn-glycero-3-phosphoethanolamine","7-Hydroxy-10E-Hexadecen-8-ynoic acid","2-Pentoxycarbonylbenzoic Acid","2'-Hydroxy-4-methoxy-5'-methylchalcone","Tricin","3-methyl-tetradecanedioic acid","5-Hydroxyanthranilic acid","5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one","3,4-Dihydroxyphenylpropionic acid","1,8-Epoxy-p-menthan-4-ol glucoside","Endocrocin","Chidamide","Clopenthixol decanoate","Dendocarbin I","Longithorol C","(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid","Naldemedine","DL-beta-Hydroxybutyric acid","LPC 16:0","C18-Sphingosine 1-phosphate; D-erythro-Sphingosine-1-phosphate","LysoPS(18:0/0:0)","Tensyuic acid B","Avenolide","1-[(4-Fluorophenyl)sulfonyl]-3-piperidinecarboxylic acid","2-hydroxy-7-methyl-Octanedioic acid","1,2,4,5-Tetrathiane","Cyanuric acid","(1s,2s,5e,7z,11z)-8,12-bis(hydroxymethyl)-5-isopropyl-2-methylcyclotetradeca-5,7,11-triene-1,2-diol","Dibenzyl phthalate","Oxalic acid","(+-)-Zoapatanol","3,5-Dihydroxy-4-isopropylstilbene","2-(5-Hydroxy-1H-indol-2-yl)acetic acid","Adipic acid","Psilostachyin C","2-Chloro-L-phenylalanine-IS","4,4'-Methylenebis(2,6-dimethylphenol)","(17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione","N-Methylrosmaricine","3beta,6beta,19alpha-trihydroxy-23-oxo-urs-12-en-28-oic acid","3-Hydroxy-3,5,5-trimethyl-4-(3-oxo-1-buten-1-ylidene)cyclohexyl beta-D-glucopyranoside","Recoflavone","2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione","Enterolactone","4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside","3-Hydroxypicolinic acid","5-Heptyl-3-methyl-2-furanpentanoic acid","seco-plakortide H","5-{[4-(beta-D-Glucopyranosyloxy)benzyl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid","3,16-dihydroxypalmitic acid","Chrysoobtusin","(3r,6r)-6-[(1r,3s,3as,3br,5r,5ar,7s,9ar,9bs,11ar)-3,5,5a,7-tetrahydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-3-isopropylheptanoic acid","3,4-dimethyl-5-carboxyethylene-2-furanpentanoic acid","methyl (2S,4R,9R,10S,13R)-4,15-dihydroxy-17-methoxy-9-methyl-6-oxo-5,16-dioxapentacyclo[12.3.3.01,13.02,10.04,8]icos-7-ene-14-carboxylate","Stieleriacine D","Tricosanedioic acid","Glycylleucylmethioninamide","2-amino-3-(3,4,5-trihydroxyphenyl)-n-[2-(3,4,5-trihydroxyphenyl)-1-{[2-(3,4,5-trihydroxyphenyl)ethenyl]carbamoyl}eth-1-en-1-yl]propanimidic acid","3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid","UDP-N-acetylglucosamine","Apteniol A","Asterogenol","(7z,10z,13z,16s)-16-[(1s)-1-hydroxypropyl]-1-oxacyclohexadeca-7,10,13-trien-2-one","Gentisic Acid 5-O-Beta-Dglucopyranoside","MEDICA 16","Phloroglucinol carboxylic acid","4alpha,24-Dimethyl-5alpha-cholesta-22Z-ene-3beta,8beta,11beta,12alpha-tetraol","2-Methylhippuric acid","chloro-4-tert-amylphenol","6-Methoxyflavone","N-Acetylmethionine sulfoxide","3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone","p-Cresylsulfate","Luteolin 4'-methyl ether 7-sulfate","Pentadecanedioic acid","ALLOSE","Sulfolithocholylglycine","3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID","2,3-Dihydroxy-3-(4H-imidazol-4-yl)propyl dihydrogen phosphate","6-Hydroxyfluvastatin","Corchorifatty acid F","3,8-Dihydroxy-9-methoxycoumestan","delta6-9-IsoF","Dihydroxy-4-pregnen-3-one","[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate","Pteroic acid","Methyl 3,4-dihydroxybenzoate","Ethyl isothiocyanate","2,3-dinor Prostaglandin E1","NPPB","Phthalocyanine","3,17,17-trimethyl-7-methylidene-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16),14-triene-1,5,14-triol","(1s,2r,5s,6r,8r,10s,11s)-11-bromo-10-chloro-2,5,6,10-tetramethyl-7-oxatricyclo[6.4.0.02,6]dodecan-1-ol","alpha-D-Glucopyranosyl 2-O-(2-methylbutanoyl)-alpha-D-glucopyranoside","2-Hydroxy-3,4'-dimethoxychalcone","Ptilosaponoside B","Methyl 4-hydroxycinnamate","Phenanthrene-3,4-diol","Isofraxidin-7-glucoside","[(1r,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid","sedoheptulosan","16beta-hydroxy-24-methyl-12,24-dioxoscalaran-25-al","Tegaserod","4,5-Dicaffeoylquinic acid","Emodic acid","uracil arabinose-5'-phosphate","(2S,3S,4R)-3,4,4',7-Tetrahydroxyflavan","Phosphoric acid","Oxyphyllanene C","Irtemazole","6-Bromo-1-benzothiophene-2-carboxylic acid","9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one","7-[(1S,2R,3R,4R)-3-(3-Hydroxy-4-phenylpent-1-enyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid","Nitrosyl acetate","Negombatoperoxide B","Necatorine","5S,18-diHODE","Vitisin C","Bempedoic acid","Sulindac sulfide","6-Hydroxyemedastine","3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid","Nimbolide","Gaylussacin","2-Hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxononyl]-3-methyl-2H-furan-5-one","6-O-Acetylaustroinulin","Capnine","5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone sulfate","PC(6:2(2E,4E)/6:2(2E,4E))","Isoneobavachalcone","Methionyl-Serine","p-Coumaric acid glucoside","PALATINOSE","Palmitoyl Glycine","Dronedarone","4-hydroxy lauric acid","Sesquiterpenes","4-Hydroxy-3-methylbenzoic acid","5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone","9-Hydroxy-10-ketooctadecanoic acid","Tetrahydro-2-(bis(2-chloroethyl)amino)-3-heptyl-6-methyl-2H-1,3,2-oxazaphosphorine 2-oxide","Isishippuric acid B","2-Bromo-4-fluorobenzoic acid","6-Hydroxypentadecanedioic acid","16-hydroxy-9E-hexadecenoic acid","Berkeleylactone F","Hydroxytyrosol 1-O-glucoside","Blood Group H Disaccharide","1-[6-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one","Hexyl 2,5-dichlorophenylphosphoroamidate","AB-FUBINACA metabolite 2B","4-Oxododecanedioic acid","5-Hydroxy-7,8-dimethoxyflavanone","Magnolol","Methyl 2,4-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methylphenoxy]-3,6-dimethylbenzoate","Davidigenin","Chlorohydrin","L-(-)-Phenylalanine","PG(O-16:0/0:0)","Tricetin","2-[(2-Ethylbutanoyl)amino]-4,5-dimethoxybenzoic acid","Nosantine","3,4-Methyleneazelaic acid","Cibaric acid","Japanic acid","Picroside III","9-Anthraldehyde","Grayanotoxin II","Nicotinic acid","m-hydroxy-Hydrocinnamic acid","O-TOLUIC ACID","LysoPE(P-18:1(9Z)/0:0)","(2z,6z,8s,11s,13e)-11-hydroxy-15-(2-hydroxy-1,3-thiazol-4-yl)-3,8-dimethyl-15-oxopentadeca-2,6,13-trienoic acid","4-(4-(Benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide","Rotenonone","Valacyclovir","2-hydroxyacrylic Acid","Monomethyl Azelate","2-(2,3-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one","(Isobutyrylamino)Acetic Acid","N-Docosahexaenoyl Threonine","2'-Hydroxy-2,4,4',5-tetramethoxychalcone","1,3,7-Trimethyl-8-nonylpurine-2,6-dione","Gluconic acid","N-Acetylglycine","3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone","3A,4B-GALACTOTRIOSE","N-Acetyl-D-alloisoleucine","Gericudranins A","3-[2-(6-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one","Undecanedioic acid","agallochin E","3-hydroxydodecanoyl carnitine","1,4-Phenylenediacetic acid","Ulinastatin","3,3',7-Trihydroxy-4'-methoxyflavone","tetra-O-methyl-maesopsin","1a,1b-Dihomo prostaglandin E1","Methyl 4-hydroxy-3,5-dinitrobenzoate","Gln-Phe","3,6-dioxo-decanoic acid","Orotic Acid","7-hydroxy-2,4,7-trimethyl-2E,4E-octadienoic acid","13-Hydroxy-3E,9Z,11E-octadecatrienoic acid","Baccatin","Citramalic acid","4-Hydroxyphenylpyruvic acid","16-alpha-Hydroxyandrosterone","17beta-Estradiol-2,3-quinone","(E)-3,5-Dimethoxystilbene","4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine","Mifepristone","(1R,4S,5R,9S,10S,13R,14R)-14-hydroxy-5,9-dimethyl-2-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid","(+/-)9-HpODE","2-({7,10-dihydroxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-9-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol","-Muricholic Acid","1-(13Z,16Z)-docosadienyl glycerone-3-phosphate","2-Hydroxymyristic acid","1-[6-(2-Carboxypyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid","Mesquitol-4alpha-ol 8-methyl ether","Lunularic acid","6E,8E,14E-Hexadecatriene-10,12-diynoic acid","3,4,5-Trimethoxycinnamic acid","Guanosine monophosphate (GMP)","2-Ethoxybenzoic acid","2,3-Dihydroxybenzoic acid","4-fluoro-2-(methylthio)benzoic acid","17-HETE","3-keto Fusidic acid","delta10-13-PhytoF","Pisumic acid","Mansonone C","testufuran A","Estrone","Norbuprenorphine","Juniperic acid","Tetracosanedioic acid","Blighinone","dalbergin","Trimethylolmelamine","(1R,5S,5'S,6S,9R)-5'-(furan-3-yl)-4-methylidenespiro[10-oxatricyclo[7.2.1.01,6]dodecane-5,3'-oxolane]-2',11-dione","3-Isopropylmalic acid","2'-O-Methyluridine","Salvianolic acid D","2-Vinyl-4-[(1R)-2alpha-(3,4-dihydroxy-4-methylpentyl)-2-methyl-3beta-bromo-6-methylenecyclohexane-1beta-yl]-2-butanol","Anisindione","(2R)-2,3-Dihydroxypropanoic acid","(2R,3R,4E)-2-(4-Hydroxyphenyl)-4-[(4-Hydroxyphenyl)Methylidene]-5-Oxooxolane-3-Carboxylic Acid","Salvianolic acid C","Thioxanthen-9-one","6,7-Dihydroxycoumarin","C75 trans","Verbenalin","Deoxyinosine","Isocombretastatin A4","Glu-Leu","Urolithin A","Cladinose","Loureirin A","MAB-CHMINACA metabolite M7","N-Acetylvaline","Nitrefazole","(2E)-3-[(3aS,4S,5R,7aS)-7a-Hydroxy-5-isopropyl-3-oxooctahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)acrylic acid","4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid","Cresyl saligenin","3,3'-Disulfanediyldibenzoic acid","(3R)-3-isopropenyl-6-oxoheptanoic acid","Cymosalignan C","16,17-Dihydroxykauran-18-oic acid","1-Isothiocyanato-7-(methylthio)heptane","3,12-diketo-4,6-petromyzonene-24-sulfate","2-(1,3-Thiazol-2-ylcarbamoyl)benzoic acid","Biotin","Kukoamine D","(1s,3r,4s,7s,8r,12s)-3,4,8-trihydroxy-4,8,12-trimethyl-15-methylidene-11,14-dioxo-13-oxabicyclo[10.3.2]heptadecan-7-yl acetate","4-[1,1-Dioxo-3-(2,3,4-trihydroxyphenyl)-2,1lambda6-benzoxathiol-3-yl]benzene-1,2,3-triol","Plakortide N","Octadecanedioic acid","Syringic acid","L-Monomenthyl glutarate","N-Acetylaspartic acid","Floctafenic acid","Calystegine A7","6-Hydroxyazapropazone","callicarpic acid B","3-hydroxyundecanoic acid","Tianeptine","3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","9-HOTrE","Demethylvestitol","Corosin","Hyperoside","2-(5-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-ethanoic acid","LysoPE(P-16:0/0:0)","Gluconapoleiferin","Tetrahydrodipicolinate","ethyl 4-amino-2-anilino-5-nitrothiophene-3-carboxylate","{[(5s)-3-[(carboxymethyl)imino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}acetic acid","Tafamidis","4-Methyl-1-hexen-3-one","7,4'-Dihydroxyflavone","2-Chloro-5-(methylsulfamoyl)benzoic acid","Diethyl (3-hydroxyphenyl)phosphonate","Glutaric acid","Triazolam","4-(beta-D-Glucopyranosyloxy)benzyl 3-(beta-D-glucopyranosyloxy)-2-{[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-methylbutanoate","(3s,7r)-3,7-dimethyl-8-[(3-methylnon-2-enoyl)oxy]octanoic acid","4-[(2,4-Dimethoxy-6-methylbenzoyl)oxy]-2-methoxy-6-methylbenzoic acid","13,14-Dihydro PGF-1a","(2S,3S,5R)-5-(6-Aminopurin-9-yl)-2-(2H-oxet-2-yl)oxolan-3-ol","2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (R)-","Lappaphen A","4,14-dihydroxy-octadecanoic acid","Stoloniferone S","2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide","PA(8:0/i-15:0)","2-Hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid","4-((5-(4-Nitrophenyl)oxazol-2-yl)amino)benzonitrile","12,17;13,17-Diepoxy-16-hydroxy-9Z-octadecenoic acid","Pseudouridine","2-Methylglutaric acid","Ginkgolide A","Tetrahydro-2,5-furan-diacetic acid","Isoferulic acid","Podocarpusflavone A","LysoPE(16:1(9Z)/0:0)","6-Phenyl-1-(4-pyridinylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid","4-Pyridoxic acid","Altersolanol K","2-[(1S,2S,4aR,8aS)-1-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid","7-Deoxydoxorubicinone","9-(3-O-Methylpentofuranosyl)-1,9-dihydro-6H-purin-6-one","N-Acetyl-L-methionine","Ribothymidine","3-Hydroxydecanoic acid","AC-THR-OH","Griseophenone C","Androst-4-ene-3,6,17-trione","Prostaglandin F3alpha","2-methoxy-hexadecanoic acid","Luliconazole","3-Methoxy-4,5-methylenedioxybenzoic acid","9-Hydroxy-1-(2,6-dyihydroxy-4-methoxyphenyl)-6Z,10E,12Z,15Z-octadecatetraen-1-one","Thioglycolic acid solution","3,4-Methylenepimelic acid","4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diol","Carboxyfentanyl","4-Hydroxy-2-methylbenzoic acid","Phytolaccatoxin","(R)N-(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)phenylalanine","Asperunguissidone A","Phosphoribosylformylglycinamidine","Isoferulic acid 3-sulfate","Hexadecanedioic acid","LysoPE(14:0/0:0)","(2e,4r)-4-[(1r,3as,3bs,9ar,9bs,11ar)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]pent-2-enoic acid","(1R,7S,13S,15S)-2,15-Dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","Lapachenole","Roxadustat","1-beta-Hydroxyeuscaphic acid","Citrifelin B","Uncariursanic acid","1-Octanesulfonic acid","PE(13:0/0:0)","Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, trans-","N-Arachidonoyl Phenylalanine","2-oxo capric acid","beta-Estradiol","2-(5,6-Dimethyl-9-oxoxanthen-1-yl)acetic acid","Uridine","Makaluvamine M","4-Amino-2-methylenebutanoic acid","(4r,7z,11r,13s)-11-hydroxy-7,11-dimethyl-4-(prop-1-en-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione","Eicosanedioic acid","3-oxovaleric acid","Lanceoloside A","Viridicatol","Eupenicisirenin B","Spiculisporic acid","Malonic acid","Fumigaclavine C","5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan","4-[(2R,3R,4S)-4-Hydroxy-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl beta-D-glucopyranoside","5-(5,7-Dihydroxy-3-methoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl beta-D-xylopyranoside","Dinitro-ortho-cresol","3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid","Dulcitol","Isoketocamphoric acid","2-methoxytetradecanoic acid","(1r,3as,3br,9ar,9bs,11r,11ar)-9a,11a-dimethyl-1-[(2s,3e)-5-methylhex-3-en-2-yl]-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate","Testosterone sulfate","3-Methylpyrrole-2,4-dicarboxylic acid","3-[2-(beta-D-Glucopyranosyloxy)-4-methoxyphenyl]propanoic acid","Benzo[d][2,1]benzothiazepine","4-methyl-5-carboxyethyl-2-furanacrylic acid","TRICARBALLYLIC ACID","1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione","2'-Hydroxyfurano[2'',3'':4',3']chalcone","20-HDoHE","3-(Hydroxymethyl)-7-methoxy-6-oxo-6H-oxepino[2,3-b]chromene-5-carboxylic acid","N-Acetyl-L-glutamic acid","20-imino-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3(8),4,6,9(21),10,12,14(19)-octaene-6,18-diol","Ganodernoid A","4-Bromo-2,5-difluorobenzoic acid","(+)-12a-Hydroxyerythynone","4,6-O-Ethylidene-D-glucose","Citreorosein","4-O-Methylgallic acid","1-(6-Chloro-1H-benzimidazol-2-yl)ethanol","bisphenol A","Hydroxysuberic acid","4-O-(A-D-MANNOPYRANOSYL)-D-MANNOSE","dimethyl (Z)-2-methyl-3-[(E)-oct-1-enyl]but-2-enedioate","Fumigaclavine A","7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, N-oxide","2-succinylbenzoate","M1G-dR","3-hydroxyflavone","3-Hydroxycinnamic acid","2-[6,8-Dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide","hellebrigenin-3-(14-hydroxymyristate)","2-Hydroxymaackiain","2-hydroxy-15-methylhexadecanoic acid","2-Methylbutyl beta-D-glucopyranoside","Methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate","Acoric acid","triterpenoids","N-Lauroyl Phenylalanine","Melilotoside","(R)-Heraclenol","(2R,3R)-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one","8-Hydroxy-1-methoxy-3-methylanthraquinone","Dodecyl gallate","Cinnzeylanol","Butein","Caffeic acid 3-O-sulfate","Ecabet","(1s,6s,7z,9r,10z,19r)-11-chloro-9-hydroxy-6-methyl-14-oxa-23-azatetracyclo[14.6.2.01,5.019,23]tetracosa-7,10,16-trien-15-one","Macrolactin F","BETA-N-ACETYLGLUCOSAMINE","4,6-dichloroindole-2-carboxylic acid","Eglumetad","Phloretin","methyl (1s,6s,8s)-3,8,16-trimethyl-17-oxo-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene-12-carboxylate","Tryptophyl-Histidine","Isofraxidin","3,4-Dephostatin, Ethyl-","Yuccagenin","[(1R,3E,5R,7S,10Z,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate","3-(3-Furanyl)-2-methyl-2-propenal","Calomelanone","Sorbitan laurate","4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulfate","Fusaroskyrin","4'-Hydroxy-3'-prenylacetophenone","N-Didesmethyl-tamoxifen","3-deoxy-D-manno-octulosonate 8-phosphate","epi-4'-hydroxyjasmonic acid","Amino(5-bromo-2,4-dimethoxyphenyl)acetic acid","5,7-Dihydroxy-3,6-dimethoxy-2-phenyl-chromen-4-one","3-(2,4,5-Trimethoxyphenyl)propanoic acid","7-Hydroxyoctadecanoic acid","Elephantopinolide M","4-benzyl-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carboxamide","2-(2-Thienylmethyl)benzoic acid","2-(tert-Butyl)-6-[(4-chlorophenyl)sulfonyl]pyrazolo[1,5-a]pyrimidin-7-amine","(2r,2as,3s,4s,5as,5br,7as,8s,11as,11br,13s,13as)-3-acetyl-8-ethyl-2,4-dihydroxy-5b,8,11a-trimethyl-hexadecahydrocyclobuta[i]chrysen-13-yl acetate","Curcumenol","Suberic acid","PA(2:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))","ethyl (1s,2r,4s,8r,9s,10s,13r,14r)-13-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4,8-dihydroxy-2,14-dimethyl-5-oxotetracyclo[7.7.0.02,6.010,14]hexadec-6-ene-4-carboxylate","PG(14:0/0:0)","2-[6-Fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid","2-oxo-octadecanoic acid","(-)-3-dehydroshikimic acid","(5,7-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid","Gibberellin A59","[(4-chlorobenzyl)thio]acetic acid","Villinol","gamma-Eudesmol rhamnoside","3-Methylbenzoic acid","m-Cresol","10,10-Bis(pyridin-4-ylmethyl)anthracen-9-one","Pseudopteranoic acid","(E)-Suberenol","Gibberellin A70","5-Bromo-1-benzofuran-2-carboxylic acid","2-[(3R,4S)-3-{[5-(Methoxymethyl)-1,2-oxazol-3-yl]methyl}-4-piperidinyl]-N-(2-thienylmethyl)acetamide","2,3,5,10,15,17,18,19,22,23-Decahydro-1H-corrin","N-Lauroyl Serine","3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl pentofuranoside","Glabric acid","6,7-Dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one","10,11-Difluoro-8E,10E-dodecadien-1-ol","(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene","(1r,3R,4s,5S)-4-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid","Apigeniflavan 5-O-xyloside","Emodin","Magnolioside","Azidoindolene 1","1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one","Kenalog","7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline","INDOLELACTIC ACID","Pythocholic acid","Dansylproline","3-hydroxy-vaccenic acid","14,19-Dihydroaspidospermatine","tectoridin","N-(3-Chloro-4-morpholinophenyl)-2,5-dimethyl-3-furamide","maesopsin","Silyhermin","schaftoside","2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone","Lathycarpin","Arctinone A acetate","gamma-Glutamylvaline","Amiloride","Moniliferone A","Artocommunol CC","1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine","N-Methylhydantoin","Cuscuta propenamide 1","Eupalitin 3-O-sulfate","Norethindrone acetate","Dihydroartemisinin","bielschowskysin","Silidianin","tetramethylterephthalic acid","3alpha,7alpha,12alpha-Trihydroxy-5alpha-chol-22-en-24-oic acid","1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol","22-chloro-17-hydroxy-20,20-dimethyl-2,12,16,18-tetraazahexacyclo[10.10.0.01,9.02,19.03,8.015,19]docosa-3,5,7,13,15,17-hexaen-11-one","2-Hydroxyisophthalic acid","2-Hydroxy-3-methylbutyric acid","Grayanotoxin","4-Hydroxyquinoline-3,7-dicarboxylic acid","4'-Methylepicatechin 3'-sulfate","Epiplakinidioic Acid","(1-Oxo-1H-phthalazin-2-yl)acetic acid","1beta-butyl-1alpha,25-dihydroxyvitamin D3 / 1beta-butyl-1alpha,25-dihydroxycholecalciferol","aurantio-obtusin","3-methyl-tridecanedioic acid","Leucic acid","Shanzhiside methyl ester","Sinaticin","Atorvastatin","N-Benzoylleucine","7-[(3S,4S)-3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid","Daphnetin 7-methyl ether","fumarprotocetraric acid","7,3',4'-Trihydroxyflavone","2,6-Naphthalenedicarboxylic acid","(9Z)-5,8,11-Trihydroxy-9-octadecenoic acid","PG(15:0/0:0)","Albanitrile G","9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one","n-(2-phenylethyl)heptadec-14-en-4,16-diynimidic acid","Genipin","Arctic acid","Hydrocotarnine","1,3,11(13)-Eudesmatrien-12-oic acid","2,2'-Methylenebis(4-methyl-6-tert-butylphenol)","2-C-methyl-D-erythritol-4-phosphate","3-Chloro-5-methyl-1,2-benzenediol","3-[5-[(Dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one","2-Hydroxyoctadecanoic acid","3-(3-Hydroxyphenyl)-2-methyllactic acid","Lonchocarpic acid","tiliroside","Medronic Acid","Thiophene-4,5-epoxide","4-[[5-Chloro-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile","2-Hydroxy-4-trifluoromethyl benzoic acid","Hellebrigenol-3-O-Sulfite","2-Carboxy-5,7-dimethyl-4-octanolide","Ecdysonic acid","3,6-Dibenzyl-1,4-dioxane-2,5-dione","2',6'-Dihydroxy-4,4'-dimethoxychalcone","2',3'-Dihydroxy-4'-methoxyacetophenone","Sulfocholic acid","(1R)-1beta,2alpha,3abeta,4beta,7alpha,11beta-Hexahydroxy-3alpha,8,11abeta,11cbeta-tetramethyl-1,2,3,3a,4,5,6abeta,7aalpha,10,11,11a,11balpha,11c-tridecahydro-6-oxa-7H-benzo[de]anthracene-5,10-dione","Sinapic acid 4-O-glucuronide","Quercetin 3-O-.alpha.-L-arabinopyranside","Diphyllin","1-Hydroxyisoquinoline","2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside","Lactic acid","N-Acetylalanine","Gallicynoic acid E","APM","Succinis acid","1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin D3","3,14-Dihydroxy-11,13-dihydrocostunolide","1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine","3-hydroxytridecanoyl carnitine","Aurintricarboxylic acid","Renieramycin M","3-Hydroxysuberic acid","Kushenol T","7-Hydroxy-3,4',8-trimethoxyflavone","4-O-Methylglucuronic acid","9-(2,3-Dihydroxypropoxy)-9-oxononanoic acid","xi-7-Hydroxyhexadecanedioic acid","D-Xylose","Rosmarinate","N-(4-Chlorophenyl)-4-[(4-methylphenyl)sulfonyl]-3-nitrobenzamide","5-Hydroxytryptophan","ethyl 4-hydroxy[1,5]naphthyridine-3-carboxylate","2-(4-Hydroxy-3-phenoxyphenyl)propanoic acid","(8R,9S,13S,14S,17S)-17-Benzyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol","Taxifolin","9H-Xanthen-9-one, 1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methyl-2-butenyl)-","triazolophthalazine","timapiprant","Arctigenin","DL-3,4-Dihydroxymandelic acid","Phenylalanylleucine","Picrotin","(2S)-2-[(E,1S)-5-[(1S,3S,4R,8S,9R,10R,12R)-3,10-dihydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-9-yl]-1-hydroxy-3-methylpent-2-enyl]-3-methyl-2H-furan-5-one","Callosobruchusic acid","2-Bromo-6-chlorobenzoic acid","Ethyl 4-ethoxybenzoate","Gibberellin A13","Hibiscetin 3,7,4'-trimethyl ether","CerP(d18:1/2:0)","Ircinianin sulfate","3-(Carboxymethyl)benzoic acid","beta-D-Fructopyranose 1-phosphate","Santowhite","URIDINE-5-MONOPHOSPHATE","3-(2-Ethyl-5-hydroxyhexyl)phthalic acid","3,10-dihydroxydecanoic acid","(2alpha,3alpha,5xi,9xi,18xi)-2,3,19-Trihydroxyurs-12-en-28-oic acid","PC(16:0/3:1(2E))","Hircinol","2-[(2,2-Diethoxyethyl)sulfanyl]-1H-benzimidazole","5-Hydroxyfluvastatin","Methyltrienolone","Idebenone","Cupressuflavone","Robustigenin","Cholylarginine","14-chlorotetracosane-1,15-disulfate","Hydroxynervonic acid","Urolithin c 3-sulfate","Austalide I","3-oxostearic acid","(-)-Spirocalcaridine B","(-)-Spirocalcaridine A","7-amino-9-(4-chlorophenyl)-6-oxo-6H-benzo[c]chromene-8-carbonitrile","3-Methyladipic acid","4-Piperidinol, 1-(3-phenothiazin-10-ylpropyl)-","24-oxo-23,24-dehydro-20-hydroxyecdysone","1alpha-hydroxy-2beta-(2-hydroxyethoxy)vitamin D3","Isomarasmone","6,7-Dimethyl-2-phenylquinoxaline","2-(6-Hydroxyhexyl)-3-methylenesuccinic acid","GUANOSINE","2,3-Dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline","3S-bromobutanoic acid","Cespitulactam K","Irisone A","2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone","5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone","Isoorientin","2,3-Dinorthromboxane B1","Leucylproline","2(R)-hydroxyicosanoic acid","N-[4-(3-Amino-1h-indazol-4-yl)phenyl]-n1-(2-fluoro-5-methylphenyl) urea","Valylisoleucine","10-hydroxy-(2E,8E)-decadien-4-ynoic Acid","1-Naphthyl isothiocyanate","Ala-Ile","LysoPE(18:1(11Z)/0:0)","Prebarbigerone","Isofloxythepin","n-{[4-methoxy-3-(methylsulfanyl)-6-phenylpyridin-2-yl]methylidene}hydroxylamine","Ginkgotoxin","Lecanoricacid","Syringate","5-Hydroxy Rosiglitazone","4-O-feruloyl-D-quinic acid","3-(4-methyl-8-oxonon-4-en-1-ylidene)-5-(2-methylprop-1-en-1-yl)oxolan-2-one","(11E,15Z)-9,10,13-Trihydroxy-11,15-octadecadienoic acid","Euxanthone","(3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-[(2-methylbutanoyl)oxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid","(-)-Gallocatechin","2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one","2-(3-Nitrophenyl)-4-quinolinecarboxylic acid","1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid","(4s)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione","Purpurin","3-Ureidopropionic acid","13,14-dihydro Prostaglandin E1","(1S,3Ar,3A1S,4S,5As,5A1S,7R,8R,8As,10As)-8-Isocyanato-1,4,7,8-Tetramethylhexadecahydropyrene-1-Carbonitrile","alpha-Hydroxyisobutyric acid","Thymidine 3',5'-cyclic monophosphate","L-Malic acid","3-Hydroxy-4-methyl-8-hydroxymethyl-18-nor-16-oxa-5alpha-androstane-3,13(17),14-triene-2-one","(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","(2E,4E)-Nonadeca-2,4-dienoic acid","2-(4-tert-butylphenyl)cyclopropanecarboxylic acid","Lunularin","2,4-Dinitrophenol","3-hydroxystearic acid","Annuionone B","Sarcodon scabrosus Depsipeptide","3,5,7-Trihydroxy-8-methoxyflavone 3-angelate","FAHFA 14:0/13O(FA 18:0)","1-O-Caffeoylglucose","Adenosine 2'-monophosphate","beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone","2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]-N-Ethylacetamide","5alpha-Pregnan-3beta,20beta-diol 3-sulfate","2'-hydroxy-2,4,4'-trimethoxychalcone","Gibberellin A23","3,3',4,4'-Biphenyltetracarboxylic acid","Mucic acid","Quercetin 3,3',4'-trimethyl ether","Secobryononic acid","1alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid","1,3-Dithiole-2-thione","Hamamelitannin","Liquiritigenin","5-(beta-D-Glucopyranosyloxy)-2-hydroxybenzoic acid","3alpha,7alpha,12alpha-Trihydroxy-5beta-24Z-cholesten-26-oic acid","(9S,10S,12Z)-9,10-Dihydroxy-12-octadecenoic acid","3-hydroxyicosanoic Acid","Isorhamnetin 7-glucoside","Caftaric acid","Alnetin","4-hydroxy-3,7,9-trimethoxy-1-methylbenzo[c]chromen-6-one","Chlorogenic acid","21-HDHA","Nasutin A","Heptadecanedioic acid","Moracin H","(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid","Lactupicrin","Kanzonol K","Pallidol","(4-Chloro-2-cyclohexylphenoxy)acetic acid","1,4-dihydroxy-5b,8,8,11a,13a-pentamethyl-3-oxo-1h,4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-13-yl acetate","Emopamil","3'-Methyl-3-biphenylcarboxylic acid","Haginin A","5-Formyl-2-hydroxybenzenesulfonic acid","(2s,3s,4r,5s,6s)-2-{[(5r,8s)-1-hydroxy-3,8-dimethyl-5-[(2s)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-methyloxane-3,4,5-triol","trans-Caffeic acid","5,6-Dihydro-11-methoxyyangonin","3-Methylbutyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","Arzoxifene","{5-hydroxy-10-methoxy-4-oxo-2-propylbenzo[h]chromen-8-yl}oxidanesulfonic acid","Cladosporacid A","Subaphylline","Cladosporacid E","Quindoline","Cladosporacid D","6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide","Estrone-3-sulfate","2-Ethyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate","(3S,6S)-3,6-Dibenzylpiperazine-2,5-Dione","3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone","(S)-5-Amino-3-oxohexanoate","Phosphine oxide, diphenyl(2,4,6-trimethoxybenzoyl)-","2-(4-Morpholino)ethyl-1-phenylcyclohexane-1-carboxylate","N-Palmitoyl Serine","O-glutaroyl-L-carnitine","(S)-Verimol F","5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one","Greensporone C","Sebacic acid","Desformylflustrabromine","3alpha,15-Dihydroxymarasmene","12-(acetyloxy)-5,8,11-trimethyl-15-methylidene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl 2-hydroxyoctanoate","3-[[(2S)-3-(4-Phenylphenyl)-2-(phosphonomethylamino)propanoyl]amino]propanoic acid","Ethyl 4-(carboxymethyl)-2-ethoxybenzoate","L-erythro-5-(1-Hydroxyethyl)-2(5H)-furanone","5-Hydroxy-1,2-Methylenedioxy-Anthraquinone","7-hydroxy-10E,16-heptadecadien-8-ynoic acid","Quinupramine","2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone","6beta,12alpha-Dihydroxy-5beta-cholan-24-oic Acid","Chlorocarbonic acid","3-hydroxypentadecanoic acid","Tricetin 3',4'-dimethyl ether 7-glucuronide","3-Phenoxybenzoic acid","Acetylenedicarboxylic acid","5,6-Dimethoxysterigmatocystin","Lofexidine","Asperulosidic acid","1-[(Benzyloxy)carbonyl]-2-indolinecarboxylic acid","Salidroside","Tubipolide C","5beta-Cholane-3alpha,7alpha,12alpha-triol","Laricitrin 7-glucoside","(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside","Apigenin","Prephenate","(2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid","2-oxo-tricosanoic acid","Orotinichalcone","6-[(6-Aminohexanoyl)amino]hexanoic acid","N-({5-[(2-Chloroanilino)sulfonyl]-2-thienyl}methyl)benzamide","trans-Propenyl propyl disulfide","8,10-dimethoxy-octadecanoic acid","Tyrosyl-Isoleucine","(R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid","(+/-)9,10-dihydroxy-12Z-octadecenoic acid","Lysyltryptophan","Isomucronulatol","3,4-Methylenedioxybenzaldehyde","Bicoronal","Macrophyllic acid E","AB-PINACA","Dodecanedioic acid","Isomaltose","Ethyl formate","butenoylcarnitine","Quercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate)","N-(2-Hydroxy-3-methylbutanoyl)leucine","alpha-Spinasterol 3-glucoside","Gracilosulfate F","3-Hydroxyhexadecanoic acid","D-Sedoheptulose 7-phosphate","Vorinostat","3alpha,12alpha,24R-Trihydroxy-5beta-cholestan-26-oic acid","N-(15-methyl-3-hydroxy-hexadecanoyl)-glycine","4,5,7-Trihydroxyisoflavone","Dodecyl sulfate","(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid","5-phenylisoxazol-3-ol","N-Decanoylglycine","Tetrapedic acid A","19-Epischolaricine","(S)-Laudanosine","(1S,2S,3'S,4S,4'R,6S,7S,8S,9R,10S,13S,14R)-7-hydroxy-3',4',8,10,14-pentamethylspiro[5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-15,18-diene-6,5'-oxolane]-2',17-dione","ISOGINKGETIN","4,5-Difluoroanthranilic Acid","3,5-O-dicaffeoylquinic acid","Dibutyl phthalate","3,5-Difluoro-4-formylbenzoic acid","2-methyl-4-oxo-heptadecanoic acid","Rubschisandrin","3,3'-Diindolylmethane","Desacetyllevonantradol","4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutyric acid","6-bromo-1h-indole-3-carboxylic acid","3-Hydroxysebacic acid","S-Allylcysteine","Diosmetin","Isotaxiresinol","Flemiculosin","Methyleuparin","Parvisoflavanone","LysoPE(18:2(9Z,12Z)/0:0)","Skrofulein","2-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxy-4H-chromen-4-one","3,5,6,7-Tetramethoxyflavone","3-methyl-dodecanedioic acid","(+)-Hirusten-12-oic acid","Griseoxanthone C","Leucylalanine","Minabeolide-2","Homodolicholide","6-Bromo-2-cyclopropyl-4-quinolinecarboxylic acid","Dimethylstrobochrysin","(2s)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid","2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid","3-hydroxytridecanoic acid","Glycyrdione B","3-{[2-(5-hydroxy-1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}propanoic acid","6-Prenylnaringenin","Erythronolactone","Dichlorolissoclimide","3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine","4-methyl-5-carboxyethyl-2-furanpentanoic acid","Gentisein","3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl beta-D-glucopyranoside","Mirificoumestan glycol","Rubrosterone","9,10,13-Trihydroxystearic acid","Trichloroacetic Acid","16alpha-Hydroxyprednisolone","1,4,8,11-Tetraoxacyclotetradecane","Byssochlamic acid","5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene","Oxypurinol","Morusinol","1alpha-Hydroxyarbusculin A","(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene","(R)-3-Hydroxy myristic acid","Chaetoglobosin N","Conyzatin","5,6-DIHYDRO THYMINE","Maleic Acid","(1s,5s,6r,10s,14r)-5-hydroxy-10-(hydroxymethyl)-3-isopropyl-6,14-dimethyl-15-oxabicyclo[12.1.0]pentadec-2-ene-4,9-dione","4,4'-Thiobis(6-tert-butyl-m-cresol)","2-(4-Hydroxybenzeoyl)-3-[(E)-1-(4-Hydroxyphenyl)Methylidene]Succinic Acid","3-(3,4-Dimethoxyphenyl)-2-propenoic acid","(11R,16S)-misoprostol","Azelaic acid","Nepetin","1,6-Diphenyl-1,3,5-hexatriene","Rubrofusarin B","1,3-Cyclohexanedicarboxylic acid","Alkaloid AQC2","Neoamphimedine Y","2-Carboxy-4-dodecanolide","L-2-Hydroxyglutaric acid","PA(8:0/i-14:0)","3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","2-Methoxy-N-(1-phenethylpiperidin-4-yl)-N-phenylacetamide","Mammea B/AC","Fluorescein 5-maleimide","N-(2-Chlorobenzyl)-1H-purin-6-amine","Avocadene","1-Propanol, 3,3,3-trichloro-","Bavacoumestan B","Toluene","(10s,14r)-14-hydroxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one","7,7a-Dichloro-3',6'-dihydroxyspiro[7H-2-benzofuran-3,9'-xanthene]-1-one","Phenylalanylmethionine","2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol","2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone","Curvulalide","Panchovillin","2-hydroxy-tridecanoic acid","(-)-11-hydroxy-9,10-dihydrojasmonic acid","Methyl 5-hydroxyoxindole-3-acetate","Texasin","5-Hydroxy-6-methoxy-1h-indole-2-carboxylic acid","Chrysin","LysoPS(18:2(9Z,12Z)/0:0)","5-[(4-methoxybenzyl)thio]-1,3,4-thiadiazole-2-thiol","Glycodeoxycholic acid","Dimyristoyl phosphatidic acid","Maritimein","(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid","CMPF"],"additional_accession":[]},"is_claimable":false,"name":"Sex-Driven Differences in the Rumen Microbe-Metabolite-Epithelial Transport Axis: An Integrated Multi-Omics Study of Rumen Function in Male and Female Zhongwei Goats","description":"This study investigates sex-driven differences in rumen metabolism in male and female Zhongwei goats. Rumen fluid samples were analyzed using untargeted LC-MS metabolomics in both positive and negative ion modes. Metabolites were separated by ultra-high-performance liquid chromatography and detected using high-resolution mass spectrometry. Raw LC-MS data were processed using MS-DIAL for peak extraction, alignment, filtering, metabolite identification and normalization.","dates":{"publication":"2026-08-31","submission":"2026-08-13"},"accession":"MTBLS15319","cross_references":{}}