MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/m_MTBLS12440_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/s_MTBLS12440.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/a_MTBLS12440_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/a_MTBLS12440_LC-MS_positive_reverse-phase_metabolite_profiling-1.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/QC-1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/WT-4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/QC-5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/CKO-4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/WT-2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/CKO-3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/QC-3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/CKO-6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/CKO-1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/WT-5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/QC-2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/WT-1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/QC-4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/WT-3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/CKO-2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/CKO-5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440/FILES/WT-6.rawprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12440<p>The raw MS data were converted to mzXML files using ProteoWizard MSConvert (v3.0.6428) before importing into freely available XCMS software (online 3.7.1). For peak picking, the following parameters were used: centWave, m/z = 10 ppm, peakwidth = c(10,60), prefilter = c(10,100). For peak grouping, bw = 5, mzwid = 0.025, minfrac = 0.5 were used. CAMERA (Collection of Algorithms of MEtabolite pRofile Annotation) was sued for annotation of isotopes and adducts. In the extracted ion features, only the variables having more than 50% of the nonzero measurement values in at least one group were kept. Compound identification of metabolites was performed by comparing of accuracy m/z value (&lt;10 ppm), and MS/MS spectra with an in-house database established with available authentic standards. The missing data were filled by KNN (K-Nearest Neighbor) method, and features with RSD greater than 50% are filtered out.</p>MetaboLightsPublicLiquid Chromatography MS - positive - reverse phase<p>Analysis was performed using an UHPLC (1290 Infinity LC, Agilent Technologies) coupled to a quadrupole time-of-flight (AB Sciex TripleTOF 6600, Shanghai). For HILIC separation, samples were analyzed using a 2.1 mm x 100 mm ACQUIY UPLC BEH Amide 1.7 µm column (waters, Ireland). In both ESI positive and negative modes, the mobile phase contained A = 25 mM ammonium acetate and 25 mM ammonium hydroxide in water and B = acetonitrile. The gradient was 95% B for 0.5 min and was linearly reduced to 65% in 6.5 min, and then was reduced to 40% in 1 min and kept for 1 min, and then increased to 95% in 0.1 min, with a 3 min re-equilibration period employed. The ESI source conditions were set as follows: Ion Source Gas1 (Gas1) as 60, Ion Source Gas2 (Gas2) as 60, curtain gas (CUR) as 30, source temperature as 600 °C, IonSpray Voltage Floating (ISVF) ± 5500 V.</p>Untargeted metabolomics profiling of intestinal epithelium-specific PCK1 knockout mice and littermate controls.West china hospital, Sichuan, ChinaMing Chencolonmass spectrometry assay<p>Take 100 mg sample, add 1 mL cold 90% methanol. The lysate was homogenized by MP homogenizer (24 x 2, 6.0 m/s, 60 s, twice). The homogenate was sonicated at low temperature (30 min/once, twice), The mixture was centrifuged for 20 min (14,000 x g, 4 °C). The supernatant was dried in a vacuum centrifuge. For LC-MS analysis, the samples were re-dissolved in 100 μL acetonitrile/water (1:1, v/v) solvent.</p>Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS12440Huang Zhiyin. West China Hospital, Sichuan University, China. No. 37, GuoXue Xiang Chengdu 610041, China. huang-zhiyin@qq.com. Tel: + 86 15828184989.Tang Chengwei. West China Hospital, Sichuan University, China. No. 37, GuoXue Xiang Chengdu 610041, China. shcqcdmed@163.com.Chen Ming. West China Hospital, Sichuan University, Chengdu 610041, China. No. 37, GuoXue Xiang, Chengdu 610041, China. cmxhnk@163.com.<p>The raw MS data were converted to mzXML files using ProteoWizard MSConvert (v3.0.6428) before importing into freely available XCMS software (online 3.7.1). For peak picking, the following parameters were used: centWave, m/z = 10 ppm, peakwidth = c(10,60), prefilter = c(10,100). For peak grouping, bw = 5, mzwid = 0.025, minfrac = 0.5 were used. CAMERA (Collection of Algorithms of MEtabolite pRofile Annotation) was sued for annotation of isotopes and adducts. In the extracted ion features, only the variables having more than 50% of the nonzero measurement values in at least one group were kept. Compound identification of metabolites was performed by comparing of accuracy m/z value (&lt;10 ppm), and MS/MS spectra with an in-house database established with available authentic standards. The missing data were filled by KNN (K-Nearest Neighbor) method, and features with RSD greater than 50% are filtered out.</p>Pck1cmxhnk@163.com<p>Collect colon tissues from Pck1 intestinal epithelial cell-specific knockout mice and their littermate control mice 7 days after DSS treatment. The tissues were placed into clean cryovials and immediately frozen in liquid nitrogen, followed by subsequent storage in a -80 °C freezer.</p>Metabolomicspooled quality control samplePhosphatidylethanolamineMus musculusuntargeted analysisphosphatidylcholinecolonuntargeted metabolitesulcerative colitisPCK1AB SCIEX TripleTOF 6600Agilent 1290 Infinity UHPLCexperimental samplepooled quality control samplePhosphatidylethanolamineMus musculusuntargeted analysisphosphatidylcholinecolonuntargeted metabolitesulcerative colitisPCK1AB SCIEX TripleTOF 6600Agilent 1290 Infinity UHPLCexperimental sample<p>In MS only acquisition, the instrument was set to acquire over the m/z range 60-1000 Da, and the accumulation time for TOF MS scan was set at 0.20 s/spectra. In auto MS/MS acquisition, the instrument was set to acquire over the m/z range 25-1000 Da, and the accumulation time for product ion scan was set at 0.05 s/spectra. The product ion scan is acquired using information dependent acquisition (IDA) with high sensitivity mode selected. The parameters were set as follows: the collision energy (CE) was fixed at 35 V with ± 15 eV; declustering potential (DP), 60 V (+) and -60 V (-); exclude isotopes within 4 Da, candidate ions to monitor per cycle: 10.</p>PenconazoleCorticosteroneGrayanotoxin iEthalfluralinMorphine n-oxideBenz[c]acridineD-mannosamine3-pyridinecarboxaldehyde3.beta.-tetrahydrocortisol, 3,21-diacetateEctoineMG(18:2(9Z,12Z)/0:0/0:0)[rac]ButamifosDibenz(a,h)acridineMethapyrileneArg-Arg-LysIsorangiformic acidTacrineCyclovirobuxin dDihydrokaempferolSethoxydimBifenazate(-)-quebrachitol4,15,26-trihydroxy-1-oxa-4,9,15,20,26,31-hexazacyclotritriacontane-5,8,16,19,27,30-hexoneMethyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylateGlycolateButyl 4-hydroxybenzoate9s-hydroxy-10e,12z,15z-octadecatrienoic acidAsperulosideHypericinAmphetamine3-[5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,6,7,8-tetrahydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-oneNapellineBenzamide, n-(3-bromophenyl)-3-[(hexahydro-1h-azepin-1-yl)sulfonyl]-3-(1h-indol-3-ylmethyl)-6,18-dimethyl-12-(1-phenylethyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptoneUbiquinone 9Pro-glnL-carnosineDesipramineCrimidinePilocarpineTetramethrinMevalonic acid2-epahpda [dmed-fahfa]5-androstene-3.beta.,17.beta.-diolCinchonine1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-n,n-dimethyl2-((4r)-4-((3r,5s,7s,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2,2-dimethylpentanamido)ethane-1-sulfonic acidSalinomycin, sodiumSoyasapogenol e base + o-hex-hexaLaminaritetraoseN-lauroyl-d-erythro-sphinganineRanaconitine4-quinazolinamine, n-(1-cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1h-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-Asn-His-LysAflatoxin g2CyazofamidPantothenic acidMoxonidine2''-galloylhyperinValinomycinVindolineYohimbineRitonavirN-(dodecanoyl)-1-.beta.-glucosyl-sphing-4-enineSalicylaldehydeLiliaxanthinUrsocholic acidP-tert-octylphenol heptaglycol etherXanthurenic acidCevadineN-phenyl-2-naphthylamine4-hydroxytriamtereneBromopropylateMetaproterenolPirimicarb-desamidoAcetylfentanylMetalaxylAzelastineSulcotrioneBenzenemethanol, .alpha.-[(1r)-1-(methylamino)butyl]-, (.alpha.s)-rel-Aflatoxin b25.alpha.-androstan-3.alpha.,17.beta.-diol-o-3-.beta.-glucuronic acidAflatoxin b1Monoisobutyl phthalate1,2-dioleoyl-sn-glycero-3-phosphatidylcholine3-quinolinecarboxamide, 1,4-dihydro-6-(1-methylethyl)-4-oxo-1-pentyl-n-tricyclo[3.3.1.1(3,7)]dec-1-yl-15s-hydroxy-5z,8z,11z,13e-eicosatetraene-(2-biotinyl)hydrazideCrustecdysoneRutinoseD-lactosyl-.beta.1-1'-d-erythro-sphingosineLys-His-ArgPyridineTrans-traumatic acidAcetophenazineTrans-3,5-dimethoxy-4-hydroxycinnamaldehyde1,2-dilinoleoylglycerolPhe-glyVal-Trp-ArgDimethylallyl pyrophosphateFusidic acid1-octadecyl-2-acetyl-sn-glycero-3-phosphocholineZaprinastDextromethorphan1-hexadecyl-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholineD-ornithine4h-1-benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-Promethazine sulfoxidehydrocortisone 21-acetateFumonisin b2ResibufogeninIcaridinPseudopelletierineSulfasalazineLeupeptin21-deacetoxy-11-oxodeflazacort-3,20-hydrazinecarboxamideEpoxiconazoleSulfadoxinEstrone sulfateAdenosinePalmitoyl 3-carbacyclic phosphatidic acidProstaglandin B1Cyasterone3beta-hydroxydeoxodihydrodeoxygeduninCampesterol1,10a-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-9-oneDibucaineG2fDauricine4-hydroxyphenylmaravirocEflornithineIsopimpinellin17-keto-4(z),7(z),10(z),13(z),15(e),19(z)-docosahexaenoic acidViolaceinIsoproterenol6-hydroxymelatoninOleanolic acid3-hydroxy-2',4',5'-trimethoxyflavone4-hydroxyquinoline4-piperidinecarboxamideS-lactoylglutathioneSphingosineLovatatinMinocyclineChlortoluron3-amino-1-propanesulfonic acidCalcimycinMethyl 7-methoxycoumarin-4-acetate2-amino-2-methyl-1,3-propanediolCarbendazimPyriproxyfenN-acetyl-d-galactosamine1h-indazole-4-carboxamide, n- [(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]- 1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3- pyridinyl]-1alpa,3beta-diacetoxy-22-hopanol2-chloro-2',6'-diethylacetanilidePsychosineLysine(4r)-4-((3s,5r,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acidLinoleoylcarnitine(3s,6r,9s,12r,15s,18r)-3-butan-2-yl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexoneKhasianinePhenylacetaldehyde1,2-dilauroyl-sn-glycero-3-phospho-sn-glycerolQuinoline-2,4-diolDisulfoton sulfoxideTabernamineTrihydroxycholestanoic acidChlorimuron ethylSterigmatocystinChloramphenicol succinate(.+/-.)-talinololNeoline/bullatine bPrednisoloneTokuthionFlunisolideIprovalicarb1-methyladenosineDodecanoic acid, 12-[[(cyclohexylamino)carbonyl]amino]-ProlintanePerseitol.beta.-ecdysoneAll-trans-4-hydroxyretinoic acidSulfamethizoleD-glucosamine 6-phosphateOleoyl ethylamide[(2s,3r,4r,5s,6s)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,4,5-trihydroxybenzoate4-aminosalicylic acidArtemisetinDesmediphamN-acetylglutamineTrans-4-(aminomethyl)cyclohexanecarboxylic acidVeratramineCyclo[3-(2-naphthalenyl)-l-alanylglycyl-d-tyrosyl-l-arginyl-l-arginyl]Deoxymyxol 2'-(2,4-di-o-methyl-fucoside)Lys-CysDasatinib n-oxide2-hydroxybenzyl alcohol1-(1z-octadecenyl)-sn-glycero-3-phosphocholineFargesin3'-.alpha.-sialyl-n-acetyllactosamine6-tert-butyl-3-methylsulfanyl-2h-1,2,4-triazin-5-oneBromophos-ethylHomoharringtonine4-hydroxyphenylethanolAdrenosterone2-(5-oxovaleryl)phosphatidylcholineZaleplonO-acetyl-l-serineClethodim1-hexadecyl-2-(8z,11z,14z-eicosatrienoyl)-sn-glycero-3-phosphocholine[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (e)-2-methylbut-2-enoate1,2-bis(o-decanoyl)-sn-glyceryl-3-phosphorylcholine.alpha.-chaconineMethyl nonyl ketoneTransfluthrinDioctylamineMangiferinCyclocrassostreaxanthin aTriacylglycerol 17:1-18:1-18:1Cafestol(e,2s,3r,4r,5s)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acidDl-2,4-diaminobutyric acidTestosterone enanthateO,p'-dicofolTris(2-ethylhexl)phosphate1,2-dieicosenoyl-sn-glycero-3-phosphocholineLithocholylglycineHydrocortisone 21-hemisuccinatePhysostigmineStercobilin7-methylguanine13-keto-9z,11e-octadecadienoic acidCyclic gmpBilobolHexanamide, n-[(1s,2r)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-ClomepropTrichlamideTrans-cinnamic acid7-diethylamino-3-formylcoumarin(3r,5r,7r,8s,9s,10s,12s,13r,14s,17r)-12-hydroxy-10,13-dimethyl-17-((r)-5-(oxetan-3-yl)pentan-2-yl)hexadecahydro-1h-cyclopenta[a]phenanthrene-3,7-diyl diacetateFenoxanilHydrocinnamic acidTrospium2,4-diaminotolueneTrans-androsteroneMegestrol acetateNelfinavirCyclopamineAzaconazoleProstaglandin f3.alpha.2,4-thiazolidinedione, 5-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-, (5z)-2'-deoxyguanosine 5'-monophosphate4-(2-hydroxyethyl)piperazine-1-ethanesulfonic acidThifensulfuron-methylPicropodophyllinPyridoxalIsoliquiritigeninFenpiclonilFalcarindiolLicochalcone aMebeverineSecbumeton7-amino-4-methyl-2h-1-benzopyran-2-one arachidonoyl amideSipeimoneRutarensinTribenuron-methylIsobavachalconeForskolinL-aspartic acidLuteolin 7-glucosideBoscalidNitrocefinSolanidine base + o-hex-dhex1-(2,3-dibenzimidazol-2-ylpropyl)-2-methoxybenzeneLoperamide4-hydroxy-l-isoleucineThioetheramide-PC6-chloro-2-(trifluoromethyl)quinolin-4-olBromobutideCalcitriolAspidocarpine17alpha-hydroxyprogesterone.alpha.-ergocryptineQuinaldic acidPaclitaxelDinor-12-oxophytodienoic acidN-butylamineAdenosine 3'-phosphate 5'-phosphosulfate4,4'-dichlorobenzophenone1-palmitoyl-2-linoleoyl-rac-glycerolEnniatin b1-stearoyl-2-docosahexaenoyl-sn-glycerolNeohesperidoseTestosteronePantothenatePro-leuMorpholineVernolateMevastatinHarringtonineDofetilideHydroxyitraconazoleMethionine conjugated chenodeoxycholic acidTrifloxystrobinPro-phe4-({5-[5-hydroxy-3-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acidPepstatin aCuminaldehydeChlorprothixeneAzithromycin2-hydroxyestradiol(s)-n-[[3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]phthalimideCreatineChlorzoxazoneDiaveridineOxandroloneIso-olomoucinePro-Ala17,20-dimethylprostaglandin f1.alpha.L-homocysteic acid2-hydroxyatrazineDihydrorhodamine 123MafenideLys-Ile-Lys1-oleoyl-sn-glycero-3-phosphoethanolamineAsp-Arg3,4-dimethylbenzaldehydeHirsuteineEuparinBisphenol a diglycidyl etherAdipic acidIonomycin5-methoxypsoralenPimonidazole1,4-d-xylobioseFenclorimTriptolideMyxovirescin cHeptenophosN-acetyl-.beta.-d-mannosamine1-o-hexadecyl-2-o-methyl-sn-glyceryl-3-phosphorylcholineZerumboneMyxovirescin aCyclosporin d2s-amino-4e-pentadecene-1,3r-diol.beta.-d-glucopyranosiduronic acid, 5-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]pentylThiouric acidPseurotin a2-ketohexanoic acidOchratoxin aNiflumic acidFludarabine2-hydroxymethylloratadineSchweinfurthin ePyridabenDL-Glutamic acidN-acetyl-d-lactosamine(+)-chlorpheniramineDemethylnobiletin3,4-dihydroxybenzoic acidMethoxyneurosporene4-cholestenoneD-glucosaminic acidStearamideEndrin aldehyde.beta.-estradiol 17-valerateTyramine4-acetamidobutanoatePyraflufen-ethylDeoxyadenosine1-stearoyl-2-arachidonyl-sn-glycero-3-phosphocholinePrazosinSer-AlaPurmorphamineTolclofos-methylBetulinic acid methyl esterOleana-1,9(11)-dien-28-amide, 2-cyano-3,12-dioxo-n-(2,2,2-trifluoroethyl)-MethyclothiazidePodototarin3-methyladenineErgovaline4,6-diamino-5-formamidopyrimidineCholesta-4,6-dien-3-one2-alahba [dmed-fahfa](2r,3r,4r,6ar,6bs,8as,11r,12r,12as,14br)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acidTetrahydro-l-biopterinChrysanthemic acid, ethyl esterEchinocystic acid1-pentadecanoyl-sn-glycero-3-phosphocholineBovoside aDiethylcarbamazineTeniposide2,4,6-tri-tert-butylanilineSalicylic acidN-arachidonylmaleimide3-methylhippuric acidLinoelaidic acidBufotenineAmsacrineMarmesinP-tert-octylphenol decaglycol ether3-hydroxykynurenine3.alpha.-hydroxy-7-oxo-5.beta.-cholanic acidKetamineNobiletinCholineTritosulfuronMethanone, 1,1'-[2-(phenylamino)-1,4-phenylene]bis[1-[4-(1-pyrrolidinyl)-1-piperidinyl]-Monocrotaline1h-1,2,4-triazol-3-amineTabersonine1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamineHomatropineOxcarbazepineQuercetin 3-o-malonylglucosideEthyl 3-indoleacetateAnilineCondelphineCis-4,10,13,16-docosatetraenoic acid methyl ester1,2-diheptadecanoyl-sn-glycero-3-phosphocholine4-chloro-3-sulfamoylbenzoic acid(2e,4e,12z)-n-(2-methylpropyl)octadeca-2,4,12-trienamideTanshinone iiaBetulinMenadioneHaloxyfopAcacetinCytidine 2',3'-cyclic phosphateGlu-Ser1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholineButocarboximPro-AspVisnagin4-benzofuranethanamine, 2,3-dihydro-.alpha.-methyl-[(2r)-2-[(e,2s,4r)-4,6-dimethyloct-6-en-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2e,4e,6s)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate7-acetyllycopsamineHeptadecasphinganineDesferrioxamine4'-o-.beta.-d-glucosyl-5-o-methylvisamminolPhenol, 4-[2-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]-Gemcitabine15-deoxy-delta-12,14-pgj2Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl esterLeucine3-hydroxyoleylcarnitine1,5-diphenylcarbohydrazide2-epahba [dmed-fahfa]Curcumin1,4-cyclohexanedionePiperlongumineDihydrotanshinoneMonoelaidinDi(2-nonyl) phthalateN-octanoylsphingosine-1-phosphateIndolmycinArecaidineDethiobiotinIndole-3-carboxylic acidLactoseAndrostane-3,17-diol, (3.beta.,5.alpha.,17.beta.)-Linolenic acidMandelonitrileN-acetyl-l-phenylalanine(2r)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-oneL-abrineLinoleoyl coenzyme aLatanoprost ethylamideIndicanLauramidopropylbetaineEthylenediaminetetraacetic acidMebendazoleVerbenalinStearoylcarnitineHelicinSurugamidea2-arahpa [dmed-fahfa]1,4-bis(aminomethyl)cyclohexaneProstaglandin i2LenalidomideVasicinoneParaoxonBiotinDichlorofluoresceinDL-tryptophanSyringic acidAmpicillinNeomycinMyclobutanilFumagillinIngenolLamotrigineDestruxin aLarixyl acetateClodinafop-propargylL-methionine3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acidXanthommatinGinkgolide b1-o-hexadecyl-2-o-acetyl-sn-glyceryl-3-phosphoryl(n,n,n-trimethyl)hexanolamineDicyclomineIsoalantolactoneMelamineN-octanoyl-l-homoserine lactoneAnastrozolePropanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl-Tetrahydrogambogic acid(-)-cotinineIminostilbeneN-Tetracosanoyl-4-sphingenyl-1-O-phosphorylcholine(3r,7r,8r,9s,10s,12s,13r,14s,17r)-17-((2r,5r)-5,7-dihydroxyheptan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triolIfenprodilL-homoarginine12s-hydroxy-5z,8e,10e-heptadecatrienoic acidMadecassic acidN-demethylmifepristoneBis(2,2,6,6-tetramethyl-4-piperidyl) sebacateCiprofloxacinButorphanolLys-Ile-ArgDesacetyl (7)khivorinic acid, methyl esterCis-13-docosenoic acidProtopine[(2s,3r,4r,5r,6s)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoateProstaglandin d1Glycerol tricaprylateBromadiolone3-deoxo-3beta-acetoxydeoxydihydrogedunin3-[(z)-heptadec-10-enyl]benzene-1,2-diol1,2-ditetradecanoyl-sn-glycero-3-phosphocholineBuspironeEdpetinosineImatinibIfosfamideN-3-oxohexadec-11z-enoyl-l-homoserine lactoneCephalochromin2-lahaa [dmed-fahfa]IsorhynchophyllinePertusaric acidN-[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-n'-(1,1-dimethylethyl)ureaCis-11-eicosenoic acidLonafarnib8'-apo-.beta.-carotenal, all-trans-FenuronProfenofos4-chloro-o-toluidineArg-Phe-LysPindolol1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(2-piperidylethyl)oxycarbonyl]pentacyclo[12.8.0.0&lt;2,11&gt;.0&lt;5,10&gt;.0&lt;15,20&gt;]docos-13-en-7-yl acetatePhe-Phe-ArgDulcitolIsoxanthopterinReserpic acidPuromycinN-arachidonoyl-l-alanineBeclomethasoneD-xylosePalmatine15-ketoprostaglandin f2.alpha.ObacunoneKresoxim-methylLeu-Phe-Lys5,7,3',4'-tetrahydroxy-6,8-dimethoxyflavoneSpiramycin iiAcarbose.gamma.-aminobutyric acidThiofluor 623GlycochenodeoxycholateN-methylcoclaurineFenazaflor(5r)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-oneHuperzine aN-(1,1-dimethyl-2-hydroxyethyl)-3-amino-2-hydroxypropanesulfonic acid5-trans-prostaglandin d2TG 16:0-19:2-16:0-d5AlloseVamidothionCycloheximideSurfactinAcetylcarnitineArgininosuccinic acidVenturicidin aMidazolam(-)-menthoneMalaoxonDl-homocysteineSpirostane -2h, + 1o, o-pen-dhex1,2-bis(heptanoylthio) glycerophosphocholine3-hydroxystanozolol glucuronideN-glycolylneuraminic acid1-(1z-octadecenyl)-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholineDiphenylmethylphosphineLeu-AlaFingolimodSpectinomycinDienestrolDeltalineAlbendazole sulfone1-(1z-hexadecenyl)-sn-glycero-3-phosphocholine2-propenamide, 3-[3-[(2-benzothiazolylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-Sulfanitran3-methyl-2-buten-1-olPolygodialTrimyristinFluorantheneAcadesine (drug)TrihydroxycoprostaneGlutamic acidValsartanHecogenin acetateNefazodone(3r,5r,7r,9s,10s,12s,13r,14s,17r)-17-((2r)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triolOxaprozinAcetylsalicylic acid18.beta.-glycyrrhetic acid methyl esterProsapogenin aIrisflorentinCrufomate(2e,6e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol1-monolinoleoyl-rac-glycerol22-hydoxy-2-hopen-1-oneSeneciphyllin5-methyl-5,6-dihydrouracilGliotoxinIpecosideProsulfocarbDexpanthenol.alpha.-iononeBoldenone cypionateAlanine conjugated chenodeoxycholic acidTetrahydroalstoninePimelic acidVeratroylzygadenineDiacetyl1,2-benzenedicarboxylic acidCyproheptadineOxethazaine.gamma.-undecalactoneGibberellic acidArachidonoyl ethanolamideCapsaicinLinoleoyl ethanolamide(.+/-.)-n-ethyl-1-phenyl-2-butylamineOrcinol .beta.-d-glucosideFenazaquinBetaine5-(2-hydroxyethyl)-4-methylthiazoleD-erythro-imidazolylglycerol phosphatePhenacetinD-myo-inositol-1,4,5-triphosphateGomisin c1,6-dibromo-1,6-dideoxy-d-mannitolN,n-diethyl-3,4-dimethoxybenzamideKanamycin a.alpha.-galactosyl-n-stearoylsphingosineEnrofloxacinCytidineAla-Ala-ArgNonanamide, n-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methyl-ThifluzamideHomostachydrineLpc 18:2Morphine-3-glucuronideSimazine hydroxyProstaglandin j2Alfentanyl2-linoleoylglycerol4-methylbenzyl alcoholHydrocortisoneEconazoleFluopyramGenipinPiperonyl sulfoxideCloransulam-methylPalmitamideHydrocotarnineVal-LeuTrioxsalenGlutathione, oxidizedLimaprostEmericellamide aSphingomyelin (d18:1/18:0)3,5-dibromo-l-tyrosineQuinate19-hydroxyandrost-4-ene-3,17-dioneBenzo[f]quinoxaline-7-sulfonamide, 1,2,3,4-tetrahydro-6-nitro-2,3-dioxo-Ethisterone7,8-dihydrobiopterinSpiroxamineEphedrine1-(1,2-dihexanoylphosphatidyl)inositol-4,5-bisphosphateChlorfenvinphosGamma-l-glutamyl-l-glutamic acidBlood group a trisaccharideAtropine4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid4-hydroxydebrisoquineCytidine 5'-diphosphocholine1,4-dihydroxy-2-naphthoic acid6-ketoprostaglandin f1.alpha.Cepharanthine2-((4r)-n-benzyl-4-((3r,5s,7s,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid1-stearoyl-rac-glycerolAsn-Leu-ArgGemfibrozil2'-deoxycytidineRosmarinic acid1,2-dihexadecanoyl-sn-glycerol12-hydroxydodecanoic acid1,2-dimyristoyl-sn-glycero-3-phospho-l-serine.alpha.-tocopherol nicotinate4-chlorobenzene-1,2-diamineDelsolineEthanol, 2-[[3-(2,3-dichlorophenoxy)propyl]amino]-L-citrullineDaunorubicinDfplnnhMethyl deoxycholateQuinolin-2-ol3,5-dihydroxydecanoic acidCoenzyme q24-ohe2-1-n3ade2-alahhda [dmed-fahfa]Retigabine5-aminosalicylic acid1-(4-piperidinyl)-1,3-dihydro-2h-indol-2-oneD-leucinamide, n-[(phenylmethoxy)carbonyl]-l-leucyl-n-[(1s)-1-formyl-3-methylbutyl]-SanguinarineBenzalkonium chloride (c12)2-adamantanoneFlutamide2,4-dihydroxybenzophenoneVal-Asp-Arg(+)-catechinHexylamineNeocoprogen iL-leucyl-l-prolineTaurocholate4,4'-methylenebis(2,6-di-tert-butylphenol)Myristamine oxideTris(2-chloropropyl) phosphate7,8-dehydropregnenolone(2s,3r,5r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2r,3r,5r)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-oneErythrodiol2-edahma [dmed-fahfa]HarmineChlorpyrifos-oxonXanthotoxolFluvastatinFenpropimorphEvoxineBusulfanHarpagosideGentamicin c1Benzyl nicotinate2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acidLevamisoleFluazifop-butylMethabenzthiazuronQuinine3-bromo-5-phenylsalicylic acid(2s,3r,4as,12br)-2,3,4a,8-tetrahydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trioneS-(2,3,4-trihydroxybutyl)mercapturic acidBenzenesulfonamide, n,n'-(dithiodi-2,1-ethanediyl)bis[2,5-dichloro-HypoxanthineBergaptolPhenyllactic acidIndomethacinPalmitoyl ethanolamide1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholineAcetyl-l-carnitine16.alpha.-hydroxyestroneTriacylglycerol 18:1-18:1-18:2PyrithiobacNevirapine[6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate1-oleoyl-sn-glycero-3-phosphocholineN-stearoylsphinganineLnntErgosineTriacylglycerol 16:1-18:2-18:27',8',9',10'-tetrahydro-beta-cryptoxanthinChlorthalidoneHamamelitanninResveratrol.alpha.-pyrrolidinohexanophenoneTomatidinPhenylacetyl-l-glutamineGentamicin c2OxaziclomefoneGardenin bAdenineChlorogenic acidMethyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylateSpirodiclofen7-methoxycoumarin1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamineHydroquinidine2-aahhda [dmed-fahfa]PurineIle-Arg2-aminoethylphosphonic acidEbastinePromethazineTolfenpyradPipamperoneGeissospermineMedroxyprogesterone 17-acetateCucurbitacin dCucurbitacin eCarnosolCucurbitacin bHexadecylacetylglycerolLeptomycin b1h-indole-5-sulfonamide, n-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-2-yl]methylene]-2,3-dihydro-n-methyl-2-oxo-, (3z)-MelibioseConiferyl aldehydeBenzoic acid, 3-[[(3-carboxycyclohexyl)amino]carbonyl]-4-[3-[4-[4-(cyclohexyloxy)butoxy]phenyl]propoxy]-Triphenyltin hydroxideNonanoic acidMaltotrioseAconineValproic acidProstaglandin a22-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acidBeta-estradiolDichlormidIsobutyryl-l-carnitine.beta.-sitosterol((4r)-4-((3r,5s,7r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2,2-dimethylpentanoyl)glycineMethyldopaFlavine mononucleotideMaslinic acidN-methyltyramineOleic acid methyl esterDodemorphDinitramineAgelasine (stereochemistry of diterpene unknown)Pentapropylene glycolPyridoxamineDiclobutrazol4-hydroxycyclophosphamideAcrinathrin1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine4-nitrosodiphenylamine7-amino-4-methylcoumarinL-palmitoylcarnitinePicloramMefenamic acid1,2-dilinolenoyl-sn-glycero-3-phosphoethanolamineS-1 methanandamidePenitrem aLigustrazine hclFluorene2-oleoyl-1-palmitoyl-sn-glycero-3-phosphoserine4',5-dihydroxy-7-methoxyflavanoneDibutyl phthalate8-hydroxyquinoline-2-carbonitrile2-aminophenolUrsodeoxycholic acidTerbutaline(+)-isocorydineNaproxen1,5-diaminonaphthalene1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholineBimatoprost serinolamideChrysosplenetinDeoxythymidine triphosphate1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholinePalmyramide aLeu-Trp-ArgCidofovir4-hydroxyhexenalOmethoateIcos-19-ene-1,2,4-triolMethyl jasmonateDixyrazineEplerenoneBis(2-ethylhexyl) adipateMethanesulfonamide, n-[4-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]-Heptadecasphing-4-enineProtoporphyrin ix(r)-butyrylcarnitineTG 18:1-17:1-18:1-d517.beta.-nandrolone decanoate1-hydroxy-2-naphthoic acidJervineResveratrol dimerN,n,n-trimethyllysineAla-Trp-ArgButanoic acidP-tert-octylphenol tetradecaglycol ether1h-indole-3-carboxamide, 7-methoxy-1-[2-(4-morpholinyl)ethyl]-n-[(1s,2s,4r)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-D-glucose 6-phosphateTriclopyrLappaconitine4-nitroquinoline-1-oxideN-fluorenylacetamide.beta.-d-glucopyranosiduronic acid, 6-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]hexyl1-docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine1-heptadecanoyl-sn-glycero-3-phosphocholine5alpha-pregnan-3,20-dioneDiadinochromePyrrolidineQuinolinateDihydroevocarpineIsoxadifen-ethylSuccinic acid n,n-dimethylhydrazideAlbizziinIsopentenyladenosineDL-serineNicotinateTerfenadineClozapineImazethapyrTobramycinOndansetronHydroxyebastine[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate1-o-hexadecyl-2-o-acetyl-sn-glyceryl-3-phosphorylcholineIle-Thr2-docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoethanolamineSalmeterol2(1h)-pyridinoneSolanidineSer-ThrN-(octadecanoyl)sphing-4-enine-1-phosphocholineAgaric acid1-o-octadecyl-sn-glyceryl-3-phosphorylcholineEdpetilineStearoyl ethanolamideMicrocystin rrAsn-Arg-LysCyhalofop-butylNormorphine5-methylbenzotriazoleCefaclorAngelicinLasalocidAstrasieversianin xvCoumatetralylD-erythro-sphingosine-1-phosphateAspartate conjugated chenodeoxycholic acidTrenboloneProthioconazole(.+/-.)-nuarimol6-methylchromoneFluroxypyr2-methyl-.alpha.-pyrrolidinopropiophenoneEschscholtzxanthinLipoxin a4.alpha.-pyrrolidinononanophenone3-(myristoyloxy)palmitoyl lysine from cohen et al nature 549 48 53 2017Myristoyl-l-carnitine(-)-caryophyllene oxideArginineAla-Phe6-(methylthio)purine4-hydroxy-3-methoxybenzyl alcoholL-carnitineTetrabenazineFexofenadineL-carvoneTemazepamDemeton sOleamideHeliotrineIle-Trp-LysDL-arginine5-[(3s,8r,10r,13r,14s,17r)-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one15-deoxy-goyazensolideDimethenamidMetamitronLeu-Val2'-deoxyguanosine 5'-diphosphate(+)-costunolide7.alpha.,27-dihydroxycholesterol1-oleoyl-2-linoleoyl-rac-glycerolDiisopropylethylamineCanthaxanthinBrucinePyraclonil2-amino-2-methyl-1-propanolOleoyl sarcosinePimpinellinLycopene-5,6-diolDihydrotachysterolBenzyl alcohol1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserineN-acetyl-d-glucosamine 6-phosphate5-methylisoxazol-3-amine1-o-hexadecyl-2-o-(2e-butenoyl)-sn-glyceryl-3-phosphocholineL-saccharopine1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholineAzamethiphosTetrodotoxin1-o-hexadecyl-2-o-(5z,8z,11z,14z,17z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholineL-glutarylcarnitineG01-palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol)[4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 3,4,5-trihydroxybenzoate1-o-hexadecyl-2-o-(n-methylcarbamoyl)-sn-glyceryl-3-phosphorylcholineValeramide5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2h-naphthalen-1-yl)-3-methylpentanoic acid5-androsten-3.beta.,16.alpha.-diol-17-oneOligomycin bN-docosanoyl-4-sphingenyl-1-o-phosphorylcholineOligomycin c.beta.-muricholic acidClomazon17-phenyltrinorprostaglandin f2.alpha. cyclopropyl methyl amideN-octanoylsphingosine1-oleoyl-2-acetyl-sn-glycerolN-trifluoroacetyl deacetylcolchiceineEleutherinCyclopiazonic acid4-penten-1-one, 3,3,4-trimethyl-1-(1-pentyl-1h-indol-3-yl)-1-behenoyl-2-hydroxy-sn-glycero-3-phosphocholineButabarbital1,2-dimyristoyl-sn-glycero-3-phosphoethanolamineNakijiquinone cAcephate(-)-secoisolariciresinol7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexoneStearidonic acid2-hexenalAripiprazoleTetradifonAmidosulfobetaine-142-(4-pyridyl)-4-methylthiazole-5-carboxylic acidEcgonineTriacylglycerol 16:0-18:1-18:11-methylhistidine.gamma.-muricholic acidHexanamide, n-[(1s,2r,3e)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-.alpha.-carboxybenzylpenicillin1-(1z-octadecenyl)-2-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycero-3-phosphocholineTetrandrineCarbamic acid, [3-methyl-1-[[[1-[oxo[(2-pyridinylmethyl)amino]acetyl]butyl] amino]carbonyl]butyl]-, phenylmethyl esterGlycerol 1-myristateAcyclovirAcetaminophenCer 20:1-d7 (d18:1-d7/20:1)Sclareolide5-methylcytosineVildagliptinL-kynurenineCabergolineProgesterone 3-biotinOleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-Tetradec-5-ynoic acidBispyribacGuanineMeperidineNivalenolLatrunculin aBenzobicyclonAllidochlorDebrisoquinS-methyl-5'-thioadenosineCyclosulfamuron2-amino-1-phenylethanolEriodictyolTetrahydrozoline8-(4-chlorophenylthio)guanosine-3',5'-cyclic monophosphorothioate, rp-isomerXanthosineLithospermic acidMyriocin1-piperidinecarboxamide, n-phenyl-4-(3-quinolinylmethyl)-Nigericin(2r)-3-hydroxyisovaleroylcarnitineGlucosamine-6-phosphateTris(hydroxymethyl)aminomethaneTalatizamineTerpestacin9-oxo-11-(3-pentyl-2-oxiranyl)-10e-undecenoic acidZolmitriptanTauroursodeoxycholic acid7-alpha-hydroxy cholesterolDimethachlonPravastatin2,2-bis[hydroxymethyl]-2,2',2''-nitrilotriethanolGlycocholateNocodazoleBisphenol a4-(1-piperazinyl)-1h-indole3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acidStachyoseDibutyl adipateChloramphenicol2-epahpa [dmed-fahfa]Noratropine2'-Deoxyadenosine 5'-monophosphate (dAMP)DL-isoleucineUrea, n-cyclopropyl-n'-[3-[6-(4-morpholinylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl]-DyphyllinePro-ThrHygromycin bApramycinHexythiazoxOrientinGuanidinoethyl sulfonate3-phenoxy-1-propanolIsoflavone base + 1o, 2meo, o-hex+c7h12noAsiatic acidAsn-GluN.omega.-propyl-l-arginineDiclofenacMefluidideZ-ligustilideHis-LysPhosphatidylserineHis-ser6,7-dimethoxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-oneGly-pro-arg-pro-amidePymetrozinDl-kavainSpirotetramatBenzyl butyl phthalate6-aminocaproic acidSarcosine5a,6-anhydrotetracycline16-Hydroxypalmitic acidTaurineAmastatinBixinD-myo-inositol-1,4,5,6-tetraphosphateAngustifolineNaltrexone(3r,5s,7r,9s,10s,12s,13r,14s,17r)-17-((2r)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triolLithocholic acidAmidosulfuronUrsolic acid methyl esterProcymidone3-hydroxy-3-methylglutaric acid1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholineProscillaridinAgmatineIsostearic acidNodakeninEpothilone bVinblastinePalmitoylserinolEnhydrinGlycerolLycoctonineUrsocholanic acidAscomycinPrometonGarcinolic acid4,4-dimethylcholest-8(9),24-dien-3.beta.-olBezafibrate5-L-Glutamyl-L-alanine2-linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine4-aminoimidazoleTopiramateConessineUndecanoic acid2-oleoyl-1-stearoyl-sn-glycero-3-phosphoserineArtemisininGanoderic acid h1-piperazinecarboxylic acid, 4-[1-[[4-[(1,1-dimethylethoxy)carbonyl]phenyl]methyl]-1h-indol-4-yl]-, 1,1-dimethylethyl esterThiamphenicol2,6-di-tert-butylpyridineSulforaphaneTriethanolamineHt-2 toxin3-dehydroepiandrosterone sulfateDimethoate1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (SOPC)Fluoroglycofen-ethylPhenylalanineThymidine 5'-monophosphate1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-n,n-dimethylCholesterolLatanoprostPsoralidinFurazolidonePentaethylene glycol(2s,3s)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-oneZeta-carotene7-methyluric acidParthenolideUracilDomoic acidAmprenavir2-docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserineWithaferin aBaccatin iii1.alpha.-methyl-5.alpha.-androstan-3.alpha.-ol-17-oneTefluthrinMorphineCaulophyllineAlizarinArg-Cys-LysGlu-HisCytosineFormosanineAuranofin2-amino-5-chlorobenzoxazoleArg-glu2-naphthalenol, 1-[(2,4-dimethylphenyl)azo]-Pregnenolone sulfate2-imidazolidinethioneSulfallateTrp-His-ArgEnterolactoneKobusoneLomefloxacin2-methoxy-5-nitrophenolCysteic acidAmbroxol1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-l-serineVal-ValOleyl anilideDisopyramideEthephonDiacetoxyscirpenolIndinavir5,6-dimethylbenzimidazole3-bromobenzyl alcoholTelaprevir (vx-950)Ergosterol acetate2,3,5,6-tetramethylpyrazinePyruvateTetraethyl pyrophosphateTiamulinPropetamphosS-methyl-l-cysteine5-[1,2,4a-trimethyl-5-(3-methylbutanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acidHirsutineMyriocin-12-enTimosaponin b iiPro-TrpGlutamine1,2-dithiolane-3-pentanamide, n,n'-1,3-propanediylbis-Apratoxin fChitobioseLoroxanthinHistidineLntCyanofenphosVoriconazoleNorflurazonRoseotoxin aSer-PheDimethomorphWithanolide b3,3',5-triiodo-l-thyronineRoxithromycin (roxl-150)Phosphoric acid7,8-dihydroneopterinAlpha-chaconine3,4-di-o-galloylquinic acid1-hexadecyl-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholineBassanolide1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamineButyric acid, 4-[(4-chloro-o-tolyl)oxy]-FensulfothionFormononetinGlycerophosphocholine[(2r,3r,4s,5s,6r)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2s,3r)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoateErgothioneineGlimepiride(+)-.gamma.-tocopherolRetrorsine n-oxideNorharmaneGinsenoside f11-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholineMonensin sodium (monensin a is shown)7-ethoxyresorufinPropazineEthcathinoneDipivefrine1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)Phencyclidine2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (phip)Indoleacetic acidCycloxydime.alpha.,.alpha.'-trehalose 6-phosphate(r)-(+)-arachidonyl-1'-hydroxy-2'-propylamideLys-SerXanthineD-alanineGabapentin related compound aCordycepinSchizandrinAldosteroneIndirubin-3'-monoximeBenzo(b)fluorantheneIle-Asp-LysSulfentrazoneRhodoxanthinCrystal violet(9s,10r,13r,14s,17r)-17-((r)-5-hydroxypentan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3h-cyclopenta[a]phenanthren-3-one1-deoxynojirimycin6alpha-methyl-11beta-hydroxyprogesteronePhosphorylcholine1,2-dioleoyl-sn-glycero-3-phosphoethanolamineChlormadinone acetateNervonoyl ethanolamideBinapacrylN-nervonoyl-d-erythro-sphingosylphosphorylcholineIrbesartanSolasodineEchimidineN-acetyl-d-glucosamineDinaciclibGlycerol trioleate3-furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2r,3s)-D-ribulose 1,5-bisphosphateHis-TyrFumiquinazoline fIsolithocholic acidVitamin k1SciadopitysinLauryldimethylamine oxideCromolynOxadixyl1-methyl-l-histidineCephalexinCamalexin2-hydroxyethyl n-octyl sulfideAminomethylphosphonic acidPiperidine3-oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4s)-Tripelenamine2-aminoadipic acidProstaglandin f2.beta.gamma-L-Glutamyl-L-phenylalanineAdenosine 3',5'-cyclic monophosphateCiodrinN-lauroyl-d-erythro-sphingosylphosphorylcholine.beta.-estradiol 3,17-dipropionatePhosphocholineBerberine chlorideBenz[a]anthracene1,7-bis(4-hydroxyphenyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-oneNomilinSarcinaxanthin monoglucosideTebutamCer(d18:1/18:1(9Z))Carminic acid(4ar,5r,6as,6br,10s,12ar)-10-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidCarfentrazone-ethyl(-)-.alpha.-kainic acidChlorpyrifos-methylD-myo-inositol-1,3-diphosphate2'-deoxyadenosine 5'-monophosphateL-bunolol7-chloro-3-methylquinoline-8-carboxylic acid1-stearoyl-2-hydroxy-sn-glycero-3-phosphate15-ketoprostaglandin e2Rac-didemethylcitalopramDictamine(1s,2r,4as,6ar,6br,10s,12ar,14bs)-1,2,6b,9,9,12a-hexamethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a,6a-dicarboxylic acidCer 18:1-d7 (d18:1-d7/18:1)QuinolineDiazepamAcetic acid, 2-(2,4,6-trichlorophenoxy)-, (2e)-2-(1h-pyrrol-2-ylmethylene)hydrazideTriflumuronPhe-Asp-LysHydroxyflutamideTropinoneFucoxanthin10-hydroxymorphineHydrochlorothiazidePaxillinePhenolL-glutathione, reducedBarbamateN-[5-[[4-[4-[acetyl(hydroxy)amino]butylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-n'-(5-aminopentyl)-n'-hydroxybutanediamideDidodecyl 3,3'-thiodipropionate oxideNCGC00347372-02KelevanScopularide gGlucosamineHyperosideProfluralinScopularide fPhenyl phosphate1-o-octadecyl-2-o-methyl-sn-glyceryl-3-phosphorylcholineN-(.alpha.-linolenoyl)tyrosine1-arachidoyl-2-hydroxy-sn-glycero-3-phosphocholineGlu-ArgN-acetyl-l-aspartic acidPropafenonePteryxin3-(3-(1,2-dihydroxy-1,2-dihexanoyl)thiopropane)inositol-4,5-diphosphate1,3,6-tri-o-galloyl-.beta.-d-glucose2-(2',3',4'-trihydroxybutyl)quinoxalineAstilbin3'slecFenpropidinPentazocineAcetylvanillinBenzyl alcohol, p-fluoro-.alpha.-[1-(methylamino)ethyl]-, erythro-(.+/-.)-L-beta-homomethionineIsoetharineBetulinic acidRonnelMet-Tyr-Arg5-aminolevulinic acid15-ketoprostaglandin a1Quillaic acid(1r,3ar,3bs,4ar,6s,7s,7ar,8r,8ar,9ar)-1,4a,8-tris(acetyloxy)-2,2,3b,6,8a-pentamethyl-4,9-dioxo-tetradecahydro-1h-cyclopenta[a]s-indacen-7-yl butanoateDoxorubicinMyricetinN,n-dimethylsphingosineL-deprenylCycloposineFenarimolG-guanidinobutyrateCarbamoylaspartateHydroxypyruvic acid dimethyl ketal phosphateDL-cysteineCandesartan cilexetil12-o-[deca-2z,4e,6e-trienoyl]-13-isobutyroyloxy-4-deoxyphorbol4-quinazolinamine, 2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-6,7-dimethoxy-n-[1-(phenylmethyl)-4-piperidinyl]-Serine conjugated chenodeoxycholic acidN8-acetylspermidineL-norvalineCytochalasin a1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine2',6'-dihydroxy 4'-methoxydihydrochalconeCytochalasin bMethasteronePalmitoyl sphingomyelin8-acetyl-6-hydroxy-7-methoxycoumarinAcetic acid, 2-[[(2z)-4-[(1r,2r,3r,5r)-5-chloro-2-[(3r)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]-2-buten-1-yl]oxy]-, 1-methylethyl esterFlavanone hydrazoneUridineCimetidine amideCyproconazole.delta.12-prostaglandin d2RaloxifeneImazamoxCinoxacin(+)-pinoresinol(3e,7e,11e,15e)-5,9,13,17,18-pentahydroxy-4,6,8,10-tetramethyl-2-[(e)-2-methylbut-2-enyl]nonadeca-3,7,11,15-tetraenedioic acidMianserin n-oxideTrans-zeatinN6-methyl-l-lysinePropiconazoleEquolN-myristoylsphinganine.alpha.-hydroxyoctadecanoyl coenzyme aAmodiaquin12-oxo-5z,8z,10e,14z-eicosatetraenoic acidGardeninCis-aconitatePyroquilonEmetine1,2-di-(9z,12z,15z-octadecatrienoyl)-sn-glycero-3-phosphocholineSwainsonineThiamineN-methylanilineCatalposide5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid(+)-.alpha.-tocopherolGenipin-gentiobiosideDdao2-erahpa [dmed-fahfa]3,4-dihydroxymandelic acidDehydroaripiprazoleErgocristam5.alpha.-cholest-7-en-3.beta.-ol1-pyrrolidinecarboxamide, n-[3-[[5-iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-PropentofyllineIrgarolTrachelanthineCinnamyl 3,4-dihydroxy-.alpha.-cyanocinnamate5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acidColladonineChelidonin3-[(cholamidopropyl)dimethylammonio]-1-propanesulfonateCypermethrinBenzoic acid, 3,6-dichloro-2-methoxy-IsofraxidinHarmalol1h-indole-3-carboxylic acid, 1-(cyclohexylmethyl)-(-)-riboflavinArg-Pro-Lys9-hydroxy-5b,8,11a-trimethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,5a,8-tricarboxylic acidN-PalmitoylsphingosineDeoxynivalenolCaulophyllogenin1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolaminePerindoprilTrimethylamine n-oxide3-amino-2,5-dichlorobenzoic acid7-hydroxy-3-(2-oxochromen-7-yl)oxy-8-[2-oxo-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl]chromen-2-one2-((2r,4r)-2-hydroxy-4-((3r,5r,8r,9s,10s,13r,17r)-3-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid3-ureidopropionic acid1-hexadecyl-sn-glycero-3-phosphocholineGibberellin a41,24-dihydroxyvitamin d3P-tert-octylphenol nonaglycol etherZearalenoneN-acetyldihydrosphingosineLauroyl-l-carnitinePropanoic acidLewis y tetrasaccharideLeu-Glu-ArgAstemizole1-palmitoyl-2-oleoyl-sn-glycerolCytochalasin hCis-10-heptadecenoic acidCytochalasin jGly-Trp-LysAlprenolol(-)-norephedrineMepacrineLichesterinic acidCreatinineN,n-dimethyl-n'-phenylsulfamidePyridoxine1,2-diamino-2-methylpropane3-(n-morpholino)-2-hydroxypropanesulfonic acidRoseoflavinL-tryptophanamideCimifuginCarisoprodol(r)-4-((8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acidValine conjugated cholic acidSteviolPregabalinResveratrol 3-o-d-glucuronideSn-glycerol-3-phosphoethanolamineGamma-glu-glu2-pivaloyl-1,3-indandioneTenofovirPectenolone4-aminophenol1,2-diarachidonoyl-sn-glycero-3-phosphocholine2-cis-4-trans-abscisic acidC16 lactosyl ceramide (d18:1/16:0)1-hydroxy vitamin d2HesperetinTerconazoleN-arachidonoyl-.gamma.-aminobutyric acid5-hydroxy-l-tryptophanButanamide, n-[(3s,5s)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-n-[(3-methoxyphenyl)methyl]-3,3-dimethyl-(r)-4-((3r,5r,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-6-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acidBorrelidinGeniposideDiclofop-methyl3-amino-2,3-dihydrobenzoic acid.gamma.-dodecalactone[1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]octadec-9-enoateLetrozoleMethyl arachidonyl fluorophosphonate1h-benzofuro[2,3-c]azepin-1-one, 2,3,4,5-tetrahydro-7-hydroxy-N-acetylneuraminic acidEthylmorphineDioxacarbCaffeateDodecanoic acidD-mannose 6-phosphateIsopimaric acidTris(2-butoxyethyl) phosphateMethanone, [1-(5-fluoropentyl)-2-methyl-1h-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-2-lahpda [dmed-fahfa]L-pyroglutamic acid1-linoleoyl-2-oleoyl-rac-glycerolMethyl chenodeoxycholateKendomycin1-o-hexadecyl-2-o-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholineNudifloramidePro-Arg-ArgN-nitrosopiperidineButylated hydroxytoluene2-epahsa [dmed-fahfa]14-methylpentadecanoic acid2-sdahaa [dmed-fahfa]LormetazepamFlavone base + 3o, c-hex, c-penFlutriafolIsomethiozinDihydroalbocyclineAdenosine 3'-monophosphateIndole-3-acetonitrileThiamine monophosphateClofaziminePicrotinPodofiloxProstaglandin f2.alpha. dimethylamideNg,ng-dimethyl-l-arginineFenitrothionD-glucuronolactonePentamidine[6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoatePerchloroterephthalic acid2-amino-4,6-dinitrotoluene2-phosphoglyceratePseudojervineGlutamate conjugated cholic acidMet-MetLinezolidCaldineTectoridinGabapentin4,6(1h,5h)-pyrimidinedione, dihydro-5-[[5-(2-nitrophenyl)-2-furanyl]methylene]-1,3-diphenyl-2-thioxo-Citrinin.alpha.-chloralosePrilocaineLeukotriene e41-palmitoyl-2-oleoyl-3-linoleoyl-rac-glycerolHyperforinFinasteride 2-(2-methylpropanol)amide1-(hexadecanoyloxy)-3-hydroxypropan-2-yl-octadec-9-enoateLincomycinIle-ProShikimateNiacinamidePyridateN-arachidonoyl-3-hydroxy-.gamma.-aminobutyric acidNordihydroguaiaretic acidDehydroandrographolide7.alpha.-hydroxy-4-cholesten-3-oneExo-norborneolSecurinineOsthole3-methylcytidineEstra-1,3,5(10),7-tetraene-3,17.beta.-diolP-tert-octylphenol undecaglycol etherBis(2-ethylhexyl) sebacateHc toxin2-phenylpropionaldehydeN-(dodecanoyl)sphing-4-enine-1-phosphate4-quinazolinamine, 7-[3-(dimethylamino)propoxy]-2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-6-methoxy-n-(1-methyl-4-piperidinyl)-PinacidilNilutamideGossypolTriamcinolone diacetate7-methylguanosineAcetyleugenolPhytosphingosineMethixeneXanthosine 5'-monophosphateIndoleacrylic acidCortodoxonePropranolol6-acetylmorphineProstaglandin e1 ethanolamideMonomethyl tetrachloroterephthalate(3r,6r)-6-((3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7-diacetoxy-12-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptane-1,3-diyl diacetateO-phosphotyrosine2-palmitoyl-rac-glycerolMalathion5alpha-androstan-17beta-ol-3-oneIbogaine1-palmitoyl-sn-glycero-3-phosphocholineSepiapterinNimetazepam3-formylchromone3,6-dibenzyl-9-[(2,3-diamino-1,2-dihydroindol-3-yl)methyl]-1,4,7-triazonane-2,5,8-trioneLinamarinS,s'-1,3-phenylenebis(1,2-ethanediyl)bisisothioureaD-glutamineAdenosine 2'-monophosphateAndrostan-3-ol-17-one 3-glucuronideMonuronButylateIsazophosAcetochlor ethanesulfonic acid1,2-dioleoyl-sn-glycerol(2r,6r)-6-[(3r,10s,12s,13r,17r)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acidShikonin2-deoxy-d-glucoseTyrosine conjugated deoxycholic acid putative1,2-dihexadecanoyl-sn-glycero-3-phosphocholine14-benzoyltalatizamineNicotinate d-ribonucleotideEplerenone hydroxy acidN-methyl-n-(tetrahydro-2-furanylmethyl)-4-piperidinamine2-arachidonoylglycerolDeoxyvasicinoneEnalaprilatLyngbyatoxin a putative or close isomer m+hCys-Leu-LysInosineCocaine4-quinazolinamine, 7-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-6-methoxy-n-(1-methyl-4-piperidinyl)-DL-tyrosineLumichrome(cis+trans)-nerodilol4-(methylnitrosamino)-1-(3-pyridyl)-1-butanolPrimaquineEthyl 2,4-dihydroxy-6-methylbenzoateIsorhapontinNeohesperidinBenzoylecgoninePirimicarbTriacylglycerol 15:0-18:1-18:1IsouronAnserineScorodocarpine aGriseofulvic acidPro-Met-ArgCaffeineP-fluorofentanylDirithromycin2,3-dihydroxybenzoic acidGermineGuanfacine4-methyl-1h-pyrazoleMethyl (6r)-2-(hydroxymethyl)-6-((3r,5s,7r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptanoateAntipyrineMepanipyrim2-docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamineZectran16-phenyltetranorprostaglandin e1P-tert-octylphenol pentadecaglycol ether1-palmitoyl-2-thiopalmitoyl phosphatidylcholineGuan-fu base yDidodecyl 3,3'-thiodipropionateTolyfluanideIsopropylcocaine2-alahaa [dmed-fahfa]2,3,5-triiodobenzyl alcoholSulprofosIsopropalinAcetylcholine1h-pyrazole-3-carboxamide, 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-n-1-piperidinyl-.gamma.-linolenoyl ethanolamideManoalide4-fluoro-.alpha.-pyrrolidinobutiophenoneFluazinamAnisatin(s)-10-hydroxycamptothecinFlunixinAristolochic acidLabetalolChlorothiazide1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylic acidGlu-Asn-ArgIndole-3-acetamide4-pregnen-17.alpha., 20.alpha.-diol-3-oneLeukotriene b3MiconazoleOxolinic acidDeoxycorticosterone acetateSimvastatinN-desethylsunitinibN-ethylbuphedroneErucamideAla-Thr(r)-4-((7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acidSulprophos sulfoxideN,n-dimethylformamideBufalinMiltefosineN,n'-1,8-octanediylbis[2,2-dichloroacetamide]Leu-Leu-LysOphiobolin aTyr-ValHis-Ala-LysMethionine sulfoxideS-indoxacarbN-methyl-l-glutamic acidRaffinoseProstaglandin e2 p-benzamidophenyl ester2-mohma [dmed-fahfa]Senecionine1-lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine4'-hydroxy-6-methylflavoneAzelaic acid6-[(6,8-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-4-yl)oxy]-4,8-dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one2,3,6-trichlorobenzoic acid(2e,4e)-n-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide3,3'-dimethyl-4,4'-diaminodiphenylmethaneTriphenyl phosphateDiethyltoluamideReticulineMandipropamidCelecoxib3-formyl-5-methoxychromonePsoralenAnisomycinIsatinGlycodeoxycholic acid2-methylamino-1-(3,4-methylenedioxyphenyl)propan-1-oneNorvaline, 5-phosphono-BiopterinDaidzeinD-mannitol 1-phosphatefalseUntargeted metabolomics profiling of intestinal epithelium-specific PCK1 knockout mice and littermate controls<p _msttexthash='191980607' _msthash='18693'>Metabolic dysregulation may serve as a pivotal driver of inflammatory bowel disease, with the crosstalk between metabolism and the immune system emerging as a critical research focus. Ulcerative colitis patients exhibit enhanced glycolysis but suppressed gluconeogenesis in the intestinal mucosa, yet the mechanistic links between these metabolic alterations and mucosal injury remain poorly defined. We found that Pck1 expression was significantly downregulated in colon tissues of UC patients and mice with DSS-induced colitis.</p>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