MetaboLights

application/xml

ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13022/m_MTBLS13022_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13022/m_MTBLS13022_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13022/a_MTBLS13022_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13022/s_MTBLS13022.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13022/a_MTBLS13022_LC-MS_negative_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13022/i_Investigation.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13022The data matrix obtained by searching database was uploaded to the Majorbio cloud platform (https://cloud.majorbio.com) for data analysis. Fistly, the data matrix was pre-processed, as follows: At least 80% of the metabolic features detected in any set of samples were retained. After filtering, the minimum value in the data matrix was selected to fill the missing value and each metabolic signature was normalized to the sum. To reduce the errors caused by sample preparation and instrument instability, the response intensities of the sample mass spectrometry peaks were normalized using the sum normalization method, to obtain the normalized data matrix. Meanwhile, the variables of QC samples with relative standard deviation (RSD) > 30% were excluded and log10 logarithmicized, to obtain the final data matrix for subsequent analysis.Perform variance analysis on the matrix file after data preprocessing. The R package “ropls”(Version 1.6.2) was used to perform principal component analysis (PCA) and orthogonal least partial squares discriminant analysis (OPLS-DA), and 7-cycle interactive validation evaluating the stability of the model. The metabolites with VIP>1, p<0.05 were determined as significantly different metabolites based on the Variable importance in the projeciton (VIP) obtained by the OPLS-DA model and the p-value generated by student’s t test.Differential metabolites among two groups were mapped into their biochemical pathways through metabolic enrichment and pathway analysis based on KEGG database (http://www. genome.jp/kegg/). These metabolites could be classified according to the pathways they involved or the functions they performed. Enrichment analysis was used to analyze a group of metabolites in a function node whether appears or not. The principle was that the annotation analysis of a single metabolite develops into an annotation analysis of a group of metabolites. Python packages “scipy.stats” (https://docs.scipy.org/doc/scipy/ ) was used to perform enrichment analysis to obtain the most relevant biological pathways for experimental treatments.MetaboLightsPublicLiquid Chromatography MS - negative - reverse phaseLiquid Chromatography MS - positive - reverse phaseThe LC-MS/MS analysis of sample was conducted on a UHPLC-Q Exactive HF-X system equipped with an ACQUITY HSS T3 column (100 mm × 2.1 mm i.d., 1.8 μm; Waters, USA) at Majorbio Bio-Pharm Technology Co. Ltd. (Shanghai, China). The mobile phases consisted of 0.1% formic acid in water:acetonitrile (2:98, v/v) (solvent A) and 0.1% formic acid in acetonitrile (solvent B). The flow rate was 0.40 mL/min and the column temperature was 40. The injection volume was 5 μL.Ecology-guided Bacillus SynCom from a rice–duckweed core reveals division of labor for concurrent growth promotion and sheath blight suppression.Guangdong academy of sciencesYingjie SongBacteriamass spectrometryAfter incubation, cultures were centrifuged (10,000 × g, 10 min) to remove cells, and the supernatants were subjected to organic extraction. An equal volume of acidified ethyl acetate (0.1% formic acid in ethyl acetate) was added to each supernatant and the mixture was shaken vigorously to extract metabolites. The organic phase was collected and evaporated to dryness under vacuum. Dried extracts were re-dissolved in a small volume of methanol for analysis.Bacillushttps://www.ebi.ac.uk/metabolights/MTBLS13022Yingjie Song. Institute of Nanfan and Seed Industry, Guangdong Academy of Sciences. yjsong0517@163.com.The pretreatment of LC/MS raw data was performed by Progenesis QI (Waters Corporation, Milford, USA) software, and a three-dimensional data matrix in CSV format was exported. The information in this three-dimensional matrix included: sample information, metabolite name and mass spectral response intensity. Internal standard peaks, as well as any known false positive peaks (including noise, column bleed, and derivatized reagent peaks), were removed from the data matrix, deredundant and peak pooled. At the same time, the metabolites were identified by searching database, and the main databases were the HMDB (http://www.hmdb.ca/), Metlin (https://metlin.scripps.edu/) and the self-compiled Majorbio Database (MJDB) of Majorbio Biotechnology Co., Ltd. (Shanghai, China)Groupyjsong0517@163.comA culture-dependent approach was used to isolate representative bacteria from the rice–duckweed system.Bacillus being the most frequently encountered genus and the only genus recovered from every sample type. From these, eight dominant Bacillus isolates were shortlisted for the synthetic community based on: (i) prevalence (recovered multiple times or from multiple compartments), (ii) membership in the in silico core microbiome (as indicated by metagenomic data), and (iii) phylogenetic distinctness (to cover a broad diversity within Bacillus). The eight selected strains were identified as Bacillus cereus (strain code D09), Bacillus pumilus (D10), Bacillus subtilis (D11), Bacillus velezensis (D12), Solibacillus sp. (D13), Gottfriedia solisilvae (formerly classified in Bacillus; D14), Bacillus altitudinis (D16), and Bacillus xiamenensis (D17). Untargeted metabolite profiling was performed to compare the chemical outputs of the complete SynM versus each strain-omission community. Each community (SynM and each –Dx) was cultured in liquid LB medium (shaking at 28 °C) for a defined period. Three independent culture replicates were grown for each community. After incubation, cultures were centrifuged (10,000 × g, 10 min) to remove cells, and the supernatants were subjected to organic extraction. An equal volume of acidified ethyl acetate (0.1% formic acid in ethyl acetate) was added to each supernatant and the mixture was shaken vigorously to extract metabolites. The organic phase was collected and evaporated to dryness under vacuum. Dried extracts were re-dissolved in a small volume of methanol for analysis.Metabolomicsgrowth promotionsynthetic microbiomedivision of labordisease suppressionmetabolicgrowth promotionsynthetic microbiomedivision of labordisease suppressionmetabolicThe UPLC system was coupled to a UHPLC-Q Exactive HF-X system Mass Spectrometer equipped with an electrospray ionization (ESI) source operating in positive mode and negative mode. The optimal conditions were set as followed: source temperature at 400 ; sheath gas flow rate at 40 arb; Aux gas flow rate at 10 arb; ion-spray voltage floating (ISVF) at -2800V in negative mode and 3500V in positive mode, respectively; Normalized collision energy , 20-40-60V rolling for MS/MS. Data acquisition was performed with the Data Dependent Acquisition (DDA) mode. The detection was carried out over a mass range of 70-1050 m/z.Methyl 2-[(2,3-Dihydroxybenzoyl)Amino]-3-HydroxypropanoateEthalfluralinMonolaurin9,10-DhomeNiazirinOleyl SarcosineKetoleucineProlyl-AsparagineTyr-Ser-TyrIle Ser ValMomordin Ib15-Acetoxyscirpene-3,4-Diol 4-O-A-D-GlucopyranosideAzvudineSorbitan LaurateTryptophylhydroxyproline4-HydroxybenzaldehydeN-Myristoyl LysineGlu-Thr-ProLauryl DiethanolamideS-(Pgj2)-GlutathioneSn38 GlucuronideOctadecenedioic AcidFlavin MononucleotideLys-Ala-IleL-TheanineAsp-Val-PheDiglykokoll13,14,15,16-Tetranor-8(17)-Labden-12-Oic AcidLeu Asp SerGln-LeuN-Methyl-L-Glutamic AcidL,L-Cyclo(Leucylprolyl)Cinnamic AcidLpa(15:0)10-NitrooleateEudesminBenzoylphenylalanyl-Alanyl-Proline6-MethylthioguanineVal-Leu-Leu7-DeoxyechinosporinKanamycin3-(3-Amino-3-Carboxypropyl)Uridine2-(4-Fluorophenoxy)-N-[2-Oxo-2-(4-Pyridin-2-Ylpiperazin-1-Yl)Ethyl]Acetamide(9Z,12Z)-Octadeca-9,12-Dien-1-OlPhloretin-2'-O-(2''-O-Xylosylglucoside)Leu-Ala-Leu5-Aminosalicyl-GlycineMitemcinalAlpha-Eleostearic Acid4-PhenylimidazoleL-Prolinamide, 5-Oxo-L-Prolyl-L-Norvalyl-Trp-Gly-AspSer-Leu-IleCarbidopaIndole(4R,5S,7R,11X)-11,12-Dihydroxy-1(10)-Spirovetiven-2-One 12-GlucosideCyclobutyl[(6R)-6-(3-Pyridinyloxy)-1,4-Oxazepan-4-Yl]MethanoneArg-ProDgdg(16:0/13:0)4-Nitro-7-PiperazinobenzofurazanN-Acetyl-D-GalactosaminePhe-Val-LysL-CarnitineLevistolide ACaldiamideAdenosineNoradrenochrome O-SemiquinoneAla-Ala-IleProstaglandin B1MenthofuranDl-HomoserineN-[1-(2-Oxochromen-3-Yl)Ethylideneamino]Pyridine-4-CarboxamideOleoyl GlycinePro-Pro-LysN-Pentadecanoyl-L-Homoserine LactoneL-PhenylalanineBryo 14-Aminobenzoic AcidQuinolinic AcidGlaucarubolone 15-O-Beta-D-GlucopyranosideLauramine OxideD-1-[(3-Carboxypropyl)Amino]-1-DeoxyfructoseD-Arabinono-1,4-LactoneLanepitantSphingosineLpe(13:0)Mesaconine1,4-DiaminobutaneN-Acetyl-L-Aspartic AcidN-(2-Ethyl-6-Methylphenyl)-2-(4-Fluorophenyl)Imidazo[1,2-A]Pyrazin-3-AmineCephamycin CMethenamineLepidiumsesterterpenolLys-Leu(2E,6E)-10,11-Dihydroxy-3,7,11-Trimethyldodeca-2,6-Dienoic AcidNeuromedin N (1-4)Urocanic AcidDihydrocycloartomuninTrp Met TrpRs 16566 Hcl3Beta-Acetoxy-11Alpha-Methoxy-12-Ursen-28-Oic Acid4-Coumaric AcidJasmonic AcidValylalanineN-(1-Carboxy-3-Carboxanilidopropyl)AlanylprolineArg-Thr-Lys-Arg2-[[2-[[(2S)-2-Amino-3-Methylbutanoyl]Amino]Acetyl]Amino]Pentanedioic AcidAsn-Tyr-GlnN-Acetyl-L-TyrosinePrednisoloneBursinPolicapramFluoren-9-OneValnemulinGanosporeric Acid A4-(3-Hydroxybutyl)-3,3,5-TrimethylcyclohexanoneAmicoumacin BTyr-Asp-LeuMelledonal ANorgestrel7-MethylguanineIle-Ile-Ser3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-DiolVal-Ile-AspSerylvalylglycylglutamic AcidHexamethyleneimine3-(3,5-Di-Tert-Butyl-4-Hydroxyphenyl)Propionic Acid4-(9-Methyl-8-Oxopurin-7-Yl)Butanenitrile11,11-Dimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene-4-Carboxylic AcidN-Myristoyl Proline1,2-DinitrobenzeneVal Thr AlaPhosphoenol Pyruvate2,3-ButanedioneLys-ProGly Pro Arg2-Decenedioic AcidAcrimarine NHebevinoside VPyroglutamyl-3-Methylhistidyl-ProlinamideLeucinic AcidQuassinN-Palmitoyl PhenylalanineAustinoneolClethodimGpetn(16:1/16:1)Muramic AcidShanzhiside Methyl EsterGlabrin DMilbemycin Beta3Val ValPhe Asp AlaKapa5-MethoxyindoleacetatePhe GlyAnthranilic AcidN-HexadecanoylpyrrolidineGlu IleSpb(19:0_2O)Glycosides4-(6-Methyl-4-Oxoheptan-2-Yl)Cyclohexene-1-Carboxylic AcidCis-3-Hexen-1-OlPmeoh(15:0/16:0)Ile GluProstaglandin J23-Acetyl-2,5-DimethylfuranThymineY-MorphineL-Beta-Aspartyl-L-ThreonineAlisol AAla-Ser-Ile4'-Nitrophenyl-2-Acetamido-2-Deoxy-Beta-GlucopyranosideQuipazine, 6-Nitro-, Maleate2-Aminoadipic AcidPmeoh(15:0/16:1)Asn-Asp-Thr2-(4-Methyl-5-Thiazolyl)Ethyl OctanoateDibutyl SebacateGlycerol 2-PhosphateAsp Val Ala2-{2-Oxo-2-[(2-Oxo-3-Azepanyl)Amino]Ethoxy}Acetic AcidL-ThreonineGlutaconic AcidCyclopamineSphingosine 1-PhosphateL-Leucine5-[2H-Pyrrol-4-(3H)-Ylidenemethyl]-2-FuranmethanolN-Stearoyl GlutamineCyclohexa-2,4-DienylmethanolGly-Ser-Thr5-HydroxyculmorinAsp-Gly-LeuN(4)-Acetylsulfisoxazole2,5-Di-Tert-ButylhydroquinoneGly-Glu-ArgAla-Hyp-GlyPenicillin KN-Octyl-2-PyrrolidoneKiwiionosideGamma-Aminobutyric AcidOctopaminePro-ArgFormiminoglutamic AcidTrans-Zeatin-D5DihydrolipoatePe(O-9:0/3:0)LevocarnitineGly-Thr-AlaVal Ile ValMet-Leu4H-1,3-Thiazine, 5,6-Dihydro-4,4-Dimethyl-2-(2-Phenylethenyl)-CortivazolLegonoxamine F5-Hydroxyindole-3-Acetic AcidD-Methionine (S)-S-OxideHippuric Acid(2R,3R,4S,5R)-5-Fluoro-2,3,4-Trihydroxy-6-Oxohexyl Dihydrogen PhosphateGln-Asp-IlePhenothrinLeu-Pro-GluPro-AlaVanillyl AlcoholLeu Arg Asn ArgTricrocinThreonylglutamic AcidDecaethylene GlycolAerobactinRivenprost1-(6-((3-Methoxyestra-1,3,5(10)-Trien-17-Yl)Amino)Hexyl)-1H-Pyrrole-2,5-DioneLpg(13:0)4-Hydroxymandelic AcidDg(Pgf1Alpha/0:0/21:0)Hemorphin-4MascarosideBrassinolideLinotrobanPro Gly ValFa(12:0)5-(Hydroxymethyl)-3-(1-Hydroxy-8-Methylnonyl)Oxolan-2-OneKynurenic AcidN-Acetylmuramoyl-AlaAlpha-Linolenic AcidOctaethylene GlycolN-Myristoyl Methionine(2S,3R,4R,6R,7S,8R,9R)-1,2,3,4,6,7,8,9-Octahydroxydecan-5-OneAzepan-1-Yl-[1-(4-Ethoxy-3-Methylphenyl)Sulfonylpiperidin-4-Yl]MethanoneBisphenol A DimethacrylatePelargonidin 3-SophorosideTyrosine LactateN-Lauroyl ValineFadMet-ProNidurufin2-(Ethylamino)EthanolAminocaproic AcidSalicylamide GlucuronideGlu-Glu-GlnL-(+)-CitrullineMyristoylglycinePropan-2-Yl N-PhenylcarbamateHydroxyprolyl-ArginineGlu-Ile-AspRhodomyrtone1-Dodecyl-2-PyrrolidinoneAla-Gly-LeuElaidic AcidElesclomol2-Methyl-5,7,8-TrimethoxyisoflavoneTyramine1,2,4-Triazole-1-Acetic AcidAla Val Leu GluLys Leu AlaLpg(17:0)4-Hydroxybenzyl Isothiocyanate RhamnosideGlu-Gly-LeuPg(13:0/16:0)(11Xi)-4,7-Dihydroxy-12,13-Epoxytrichothec-9-En-8-OneTriamtereneZearalanone2-Phenylethanol GlucuronideN4-AcetylcytidineOctanoateCeplignanLpg(17:1)9-Hydroxydecanoylcarnitine4-Tert-Butyl-3-[2-(4-Chlorophenyl)Ethyl]-1,3-Thiazole-2-ThioneN-Acetyl-L-PhenylalanineUreidosuccinic AcidGlu-Tyr-Gln3',4'-DihydroxyphenylacetoneFurostanolArg-LeuN-Lactoyl-TryptophanSer-Ser-Tyr7-EthylguanineBenzylideneacetoneN-Hydroxy-L-Tryptophan2-Methylthiazolidine-4-Carboxylic Acid(Z)-[(4-Hydroxyphenyl)Acetaldehyde Oxime]N-Palmitoyl GlycineFluocinoloneCholine3-Methyl-3-Butenyl Apiosyl-(1->6)-GlucosideAsp Gly Phe(3Beta,9Beta)-7-Drimene-3,11,12-Triol2,3-DihydrobenzofuranArg-Phe2',3'-DideoxyadenosineGpetn(14:0/16:1)L-IsoleucineTyrosyl-HistidineTebipenem Pivoxil(7R*,8R*)-3-Methoxy-3',4,7,9,9'-Pentahydroxy-8,4'-Oxyneolignan 4-XylosideAniline4-Fluoro-N-(3-Pyridin-3-Yl-1,2-Oxazol-5-Yl)BenzamideQuinic Acid5'-Phosphoribosyl-N-FormylglycinamidinePhenylpropionylglycineLpe(17:0)Val-Glu5,6-Epoxy,18R-HepeSebacic Acid(E)-10,11-Dihydroxy-3,7,11-Trimethyldodec-6-Enoic AcidAllyl Hexanoate3-Aminonon-5-Enoic Acid5'-((Z)-Feruloyl) 3-(2'-Methylarabinosylxylose)Alpha-D-GlucoseEtiracetamN-(3-Aminopropyl)MorpholineAmodiaquine5-Amino-2-(Dimethylamino)Benzoic AcidGeniposidic Acid2-Hydroxyglutaric Acid Diethyl EsterHeptadecasphinganineIle-Asp-Ser[2-(4-Ethoxyphenyl)Quinolin-4-Yl]-(4-Pyridin-2-Ylpiperazin-1-Yl)MethanoneN-Methyl-D-Aspartic AcidDihydrothyminePhe-Phe-Pro-Arg2-Hydroxycyclopent-2-En-1-OneBitertanolLeu-SerCortisol 21-MesylateBenzoylecgonine-D3Azelaic AcidPs(6 Keto-Pgf1Alpha/22:5(7Z,10Z,13Z,16Z,19Z))1-(Hydroxymethyl)-5,5-Dimethyl-2,4-ImidazolidinedioneZiprasidone4-Heptylphenol14-Fluoro-6-Thiaheptadecanoic AcidOctadeca-9,12-Dienal1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Oxypyrimidin-2-OnePg(14:1/19:2)Glu-Val-Lys(1R,4R,5S,6R)-4-Amino-2-Oxabicyclo[3.1.0]Hexane-4,6-Dicarboxylic AcidEstroneLpe(17:1)Delta-HydroxylysylnorleucineDitrimethylolpropaneTetrahydrouridineDhv-Pge2StreptidineCyclo(Arg-Gly-Asp-D-Phe-Val)AspartameGamma-Glutamyl-Beta-(Isoxazolin-5-On-2-Yl)AlanineN1,N12-DiacetylspermineAsp-Gln-LeuAsp-Gly-GlnBacilysocinN6,N6,N6-Trimethyl-L-Lysine2-Hydroxy-3-Methyl-9H-CarbazoleHistidylprolineChlorobenzene4-Amino-N'-Hydroxypyrimidine-5-CarboximidamideAla-Thr-GluN-Acetyl-D-MannosamineGln-Val-LeuGln-Ile-LysSimmondsin 2'-FerulateOleocanthalL-Proline2-Amino-2-(5-Methyl-3-Oxo-1,2-Oxazol-4-Yl)Propanoic AcidChenodeoxycholylglutamic AcidCyclo(Proline-Leucine)Procyanidin2-Aminobutan-1-Ol(4E,6E)-Undeca-4,6,9-TrienoylcarnitinePhenylalanyl-Prolyl-ArginineIngenolPmeoh(15:0/15:0)2-Dodecoxyethyl Hydrogen Sulfate3-Keto Fusidic AcidPhthalic Acid(+/-)-Tryptophan3-(Benzylamino)-5-(4-Chlorophenyl)Cyclohex-2-En-1-One6-Acetyl-2-Phenylbenzo[De]Isoquinoline-1,3-DioneDesmethylastemizole2-Furoic Acid2-Chloro-4-[(Dimethylcarbamoyl)Amino]Benzoic AcidEucarvone5,5-Diphenylbarbituric AcidCyclo(His-Pro)4-PropylphenolVal-Phe4-(3,4-Dimethylphenyl)-1-Thia-4-Azaspiro[4.5]Decan-3-OneGly Pro GlnGlutamylhydroxyproline19'-Hexanoyloxymytiloxanthin(2E)-4-Hydroxy-5-Methyl-2-Propylidene-3(2H)-FuranonePseudouridine 5'-PhosphateFarnesolBeta-Alanine7-(5,7-Dimethoxy-4-Oxochromen-2-Yl)Heptanoic AcidVal Ala AlaN(6),N(6)-Dimethyl-L-LysineGlu ArgSpb(20:0_2O)Val Ile AlaIle-Glu-Ile1,3-Cyclohexanedione3''-Deamino-3''-OxonicotianamineGly-Asp-IleBis-(Acetyl)DiaminopentaneD-Pinitol1-[1-(4-Benzyl-3-Oxopyrido[2,3-B]Pyrazin-2-Yl)Piperidin-4-Yl]-3-Tert-ButylureaMorph5,5'-(4-Tetradecene-1,4-Diyl)Bis[1,3-Benzenediol]TriacanthinePerlolyrinePro Glu Glu Leu GlyAntroquinonolArenobufaginHelenalinLys-IleTyr Tyr ValPe(13:0/15:0)Spisulosine1-(4-Ethoxy-3-Methylphenyl)Sulfonyl-N-(3-Hydroxypropyl)Piperidine-4-Carboxamide2-Hydroxypentanoic AcidN-Acetyl-Dl-NorvalineL-CanalineLpe(19:1)LymecyclineCurdioneHydroxy-Lacosamide2-Hydroxyadenine3'-Adenylic AcidDansylcadaverineIsoxanthopterinCryptomeridiol 11-RhamnosideIsoindolineMycophenolic Acid O-Acyl-GlucuronideProlyl-ValineAla-Ser-TyrSuberylglycineAlpha-Methylene-Gamma-Butyrolactone1'-(3,4-Dimethylphenyl)Sulfonyl-1-Ethylspiro[Indole-3,4'-Piperidine]-2-OneLys-Asp-AspPhe-LysO-Acetyl-L-HomoserineAcetylphosphateMethyl 3-Methyl-1-Butenyl Disulfide2-Propylglutaric AcidIndicaxanthinAcetoacetic AcidDgat-1 Inhibitor 2Glu-Asp-TyrAdipamide4-Methyl-1H-BenzotriazoleArg Ser Val3-Methylazelaic AcidPhe-ProN-Gluconyl Ethanolamine Phosphate2-Keto-6-AcetamidocaproateHebevinoside IiTerephthalic Acid(2E,4E)-N-(1-Hydroxy-3-Methylpentan-2-Yl)-2-Methylhexa-2,4-DienamideGlu-Ser-ThrN-Isobutyloctadeca-Trans-2-Trans-4-DienamideAmyloseMitomycin ASorbic AcidLeu-Val-Asn5-Nitroxystearic AcidVal-ProPrizidilolN,N'-DiacetylchitobioseL-Malic AcidGln Glu5-Hydroxyhexyl GlucosideAfalanine(S)-10,16-Dihydroxyhexadecanoic AcidVal Val IlePhe-Asn-AsnBenzimidazole1-[2-[4-(8-Methoxy-2-Oxochromen-3-Yl)Phenoxy]Acetyl]Piperidine-4-CarboxamideD-PantethinePipercitineGuanosine 5'-Monophosphate2-Aminoheptanedioic AcidGlu-Glu-IleThr-Gly2,6 Dimethylheptanoyl CarnitineAvermectinIle-Met-IleTetragastrinChrysophanic Acid4-Acetamidobenzoic AcidCucurbic AcidEtalocibHeliangin(1R,3S)-3-(6-Aminopurin-9-Yl)Cyclopentan-1-OlBetaineN-Methyl-L-ProlineGlu-Tyr-Phe(E)-Ethenoxyimino-Oxido-Pyrrolidin-1-Ylazanium3',4'-DihydroxyacetophenoneTriparanolN-(4-Fluoro-3-Methylphenyl)-2,4-Dimethyl-1,3-Thiazole-5-CarboxamidePyroglutamylisoleucine2-Pyrrolino-DoxAacocf3[6]-Gingerdiol 5-O-Beta-D-GlucopyranosideGrayanotoxinL-Leucyl-L-AlaninePro-Ser6-Hydroxyipolamiide7',8'-Dihydro-8'-HydroxyreticulataxanthinTyr-Ser-GlnIsoquinolineGeranyl AcetateCorchorifatty Acid AGalactosylhydroxylysineBenzyl AlcoholDithranolGly-Lys3Z-Dodecenedioic AcidVal-Asp-IleN-Alpha-AcetyllysineHydrocotarnine2-(1,3-Benzodioxol-5-Yl)-5-(Methoxymethyl)-1,3,4-OxadiazolePeg N74-[1-(2,4-Difluoroanilino)-1-Oxopropan-2-Yl]-N-Phenylpiperidine-1-CarboxamideN-(2-Hydroxyphenyl)Acetamide Glucuronide1,2-Diacylglycerol-Ld-Pi-PoolCadaverineArg Val Ser5(D)-Aminolevulinic AcidGlu-ProDifenacoum(6E,8E)-5,10-Dioxooctadeca-6,8-Dienoic AcidPhe AspPro Ala ThrIle-AspAla-Val11-Dodecenoic Acid(5Alpha,6Beta,14Alpha,20R,22R)-5,6,14,20,27-Pentahydroxy-1-Oxowith-24-EnolideArachidoyl GlycineTetrahydroaldosteroneAminodeoxykanamycinAsp Asn His(3E,11E)-2-Hydroxy-7-Methyl-6-Oxabicyclo[11.3.0]Hexadeca-3,11-Dien-5-One5-Amino-3-Methyl-1-Phenylpyrazole-4-CarbothioamideAllobarbital4-Oxo-L-Proline3-Hydroxy-N-(2-Oxotetrahydrofuran-3-Yl)Dodecanamide1,2-CyclopentanedioneImazapicThiomorpholine 3-Carboxylate1-(2-Furylmethyl)-5-Oxopyrrolidine-3-Carboxylic AcidStyreneGlycerophospho-N-Palmitoyl Ethanolamine4-Hydroxyproline5'-N-MethylcarboxamidoadenosineButylisopropylamine4-(Decan-4-Yl)Benzenesulfonic Acid2-Octylpent-2-Enedioic AcidD-Alpha-Aminobutyric AcidLpe(16:1)VigabatrinLariciresinolPhosphateAcrylamide-Sodium Acrylate ResinIle-Leu-LeuPg(14:0/16:0)Turofexorate IsopropylSerotoninPe(O-8:0/5:0)Hydroxyprolyl-ProlineEstraneLpe(16:0)N-[2-(1H-Indol-3-Yl)Ethyl]Formamide(2S,3S)-3-[[3,5-Bis(Trifluoromethyl)Phenyl]Methoxy]-2-PhenylpiperidineL-HomocitrullineHexylamineGlu-Gly6-Chloro-7,8-Dihydroxy-3-Allyl-1-Phenyl-2,3,4,5-Tetrahydro-1H-3-BenzazepineFarnesyl AcetoneThr-Gly-LeuAla-IleSer-Thr-IleGlu-Asp-LysTyr Pro Asn4-Dodecylbenzenesulfonic Acid2-[[(Z)-Hexadec-9-Enoyl]Amino]-3-Phenylpropanoic AcidIsoleucylhydroxyprolineN'-(2-Phenylethyl)ButanediamideCavipetin E Isomer 1(R)-PronuciferineN-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-4-FluorobenzamideN-Acetyl-B-GlucosaminylamineN-(6-Methoxyquinolin-8-Yl)Alanine13-HpotreGamma-Glutamyl-Beta-CyanoalanineRickinic Acid AL,L-Cyclo(Prolylalanyl)Ribavirin Monophosphate8-Hydroxy-4(6)-Lactarene-5,14-DiolCrotonic Acid(Gamma-Glutamyl-Gamma-Glutamyl)-S-Methylcysteine3-Amino-3-(4-Hydroxyphenyl)PropanoateHypoxanthine2-Methyl-5-(2-Methylprop-2-Enoxy)-1-Benzofuran-3-Carboxylic AcidIndole-3-Acetic-Acid-O-Glucuronide5-Aminolevulinic AcidGardenin BMenthol-GlucoronidePs(6 Keto-Pgf1Alpha/22:5(4Z,7Z,10Z,13Z,16Z))ArenaineCytarabineCis-Hydroxy PerhexilineN'-NitrosoanabasineVal-Thr-Asn(S)-N-MethylcoclaurineArg Leu Asn Arg1-Ethyl-2-PyrrolidinoneAdenineCoixinden BIle-Asp-IleTriethyl PhosphateLeu-Ile-Ser5-(1-Hydroxyethyl)-4-MethylthiazoleHexaethylene GlycolSpb(16:1_2O)SporolZinnimidineLeu ThrN-Desisopropylpropranolol1-(6-Oxo-1-Propylpyridazin-4-Yl)-N-(Thiophen-2-Ylmethyl)Piperidine-4-CarboxamideAsparagine-BetaxanthinSalicylic AcidProstaglandin F1AMethotrexatePantethine2,5-DimethylbenzaldehydeAc-Pro-Gly-Pro-OhPentadecanoyl EthanolamideL-Alanyl-L-Valine3-Methyl-2-Cyclohexen-1-OneBis(2-Ethylhexyl) SebacateL-MethionineGlycyl-L-LeucineMethyl Helianthenoate A Glucoside5-Methyl-1-[1-[(5-Methylthiophen-2-Yl)Methyl]Azetidin-3-Yl]-2-Phenylimidazole2-Hydroxy-3-Methylbutyric Acid4-(2,6,6-Trimethyl-1-Cyclohexenyl)-2-ButanolCucurbitacin SN-Lactoylleucine2-(2-Carboxy-2-Methylpropyl)-4,6-Dimethylbenzoic AcidT-4-Aminocrotonic Acid (Taca)Sorbitan Palmitate6-HydroxymelatoninDodemorphMethionine SulfoxideN-Oleoyl Phenylalanine2'-FluorothymidineEthyl 4-(1,3-Dimethyl-2,6-Dioxopyrimidin-4-Yl)Piperazine-1-CarboxylatePhyllanthusol BN-Myristoyl Threonine1-O-E-Cinnamoyl-(6-Arabinosylglucose)N-[(3S)-2-Oxotetrahydrofuran-3-Yl]Butanamide2,5-Dihydroxybenzamide(2-Methoxyphenyl)-[3-(5-Methyl-1,3,4-Thiadiazol-2-Yl)Piperidin-1-Yl]MethanonePropafenone GlucuronideCyclopentanol3-[1-(2,4-Difluorophenyl)Sulfonylpiperidin-4-Yl]-6-Methylquinazolin-4-OnePiclozotanAla-Ser-LeuVal-LysXi-8-Hydroxyhexadecanedioic AcidMargrapine BN-LauroylsarcosineLacto-N-Tetraose(1S,2R)-Naphthalene 1,2-OxideTranexamic AcidHippurate NitrogenPe(O-15:1/2:0)1-AcetylprolineO-Acetyl-L-Serine2-[(2,6-Dioxocyclohexyl)Methyl]Cyclohexane-1,3-DioneN-(1-Deoxy-1-Fructosyl)SerineCer(8:0_2O/8:0)N-MethyllysineSeladelparGly-ProMedroxalolNimodipineEplerenone15-MethylpalmitatePc(O-11:0)6-DimethylaminopurineAcetylcitrullineLeonurineHis-Glu-LysAsn-Ala-Ser2-(1-Hydroxyethyl)-4-(2-Hydroxypropyl)-2H-Furan-5-OneDiethyleneglycol Diacetate6,8-DihydroxypurineL-DopachromeHexadecanamideAla-Pro-ProLpg(16:0)(7Z)-Pentadec-7-EnoylcarnitineLeu Pro AlaSjb2-043SeryltyrosineAla-Asn-LeuIle Ile AlaAcetyl-Ser-Asp-Lys-ProPalmitic AcidN-Formimidoyl-Glutamic AcidDelta-Cehc4-Chloro-N-[1-(2-Morpholin-4-Ylethyl)Benzimidazol-2-Yl]Benzamide1-Ribityl-6,7-Dimethyl-1,2,3,4-Tetrahydroquinoxalin-2,3-DioneLys-Val-TyrLpg(16:1)N1-AcetylspermineHebevinoside XiiPentaethylene GlycolChrysinLpe(16:4)9H-Purine-9-OlColforsin DaropateN-Acetyl-Dl-ValineXestoaminol CMesoridazinePetoh(13:0/15:0)N,N-Bis(Allyl)-Tyr-Gly-Gly-Psi-Methylthio-Phe-LeuChrysanthemyl AlcoholGpetn(16:0/16:1)L-HistidineDeoxycholic Acid11-Ketorockogenin AcetatePro Arg GlyEthyl MyristateTriglyceride PalmitatePe(13:0/16:1)CitrullineValdecoxib(Z)-6,9,10-Trihydroxyoctadec-7-Enoic AcidAsn-Val-OhN-Ethylglycine6-Hydroxyhexanoic AcidGamma-Aminobutyric Acid-BetaxanthinCitrusin I12-Hydroxy-13-(Hydroxymethyl)-3,5,7-Trimethyl-2,4-Tetradecadienedioic AcidLicocoumarin A(+/-)-(Z)-2-(5-Tetradecenyl)Cyclobutanone2-Hydroxy-2-Methylbutyric AcidTanabalinTrans,Trans-2,4-HeptadienalMeta-O-Dealkylated Flecainide LactamVal-Pro-ProFalnidamolP-Anisic AcidIle-Phe-LysEnprostilIsoelemicinSer-Ser-AlaBrevelin ARicinine2,3-Dinor Prostaglandin E1ArginylglutamineNepetaside2-Hydroxypalmitic Acid5-HydroxylysineAdenosine MonophosphateWithanolide(Z)-2-Oct-7-Enylpent-2-Enedioic Acid4-MethylstyreneIsophoroneGlutaminylisoleucineOleamide3,9-Dihydroxydecanoylcarnitine2-Amino-3-Methylsuccinic AcidFlorfenicol Amine1-StearoylglycerophosphoglycerolPhe-GlnZaldaride3-Amino-1-(4-Methoxyphenyl)Pyrrolidin-2-One2-Chloro-N-(1,5-Dimethyl-3-Oxo-2-Phenylpyrazol-4-Yl)-4-NitrobenzamideGlutamylphenylalanineL-OrnithineTyrosyl-AspartateIle Lys AlaAsp-Asp-LysDihydro-Alpha-IononeHexadecanedioic AcidN-Butyl-N-Ethyl-2-(2-Fluorophenyl)Quinazolin-4-AmineN-Palmitoyl TyrosineImazaquinPhe Tyr Thr3-Hydroxy-Hexadecanoic AcidGlu Lys Asp3-[3-(Dimethylamino)Acryloyl]-4-Hydroxy-6-Methyl-2H-Pyran-2-OneD-Altro-D-Manno-HeptoseN,O-Didesmethylvenlafaxine Glucuronide(1R)-Glutathionyl-(2R)-Hydroxy-1,2-DihydronaphthaleneAla Gly GluGlyceric AcidPro Gln GlyFapy-Adenine2'-O-MethylglabridinN-Acetylaspartic AcidElemicin2,3-SecoporrigeninAnisoleIle Asp ThrAspartyl-Glycyl-Glutamic Acid2,6-Diaminopurine 2',3'-DideoxyribosideR-4-Benzyl-3-((R)-3-Hydroxy-2,2-Dimethyloctanoyl)-5,5-Dimethyloxazolidin-2-One7-(4-Methoxy-5-Methyl-6-Oxopyran-2-Yl)-5-Methyloct-6-Enoic AcidPhe-Asp-IleParamethadionePe(13:0/16:0)Tyr-GluPhe-ThrTyr-GlyVal-Asn-OhAsp-GlyUndecanedioylcarnitineEpirubicinGamma-Linolenic AcidPalmitoleamideN-Lauroylglycine6-HydroxypseudooxynicotinePg(32:1)Fumaric AcidAcetaminophen SulfatePs(5-Iso Pgf2Vi/22:6(4Z,7Z,10Z,13Z,16Z,19Z))Glycoursodeoxycholic Acid22-Oxo-Docosanoate[8]-ShogaolNeolinustatin5-Hexyl-2-Furanhexanoic AcidArg-Asp2,5-Bis(Acetylamino)Pentanoic AcidPe(16:0/16:1)Ala Arg Tyr14,15-DihetreTrp-Glu4-(1,3-Benzothiazol-2-Yl)Aniline(+)-PinoresinolAla-LeuEtimicin2-Hydroxy-3-Methylpentanoic AcidRepaglinide Aromatic Amine2-Acetyl-3-EthylpyrazineIsokobusoneMethyl-3H-Thymidine2,6-Pyridinedicarboxylic Acid2-Methyl-5-Propionylfuran5-Sulfosalicylic AcidDiffractaic Acid(2S)-2-Amino-6-[(3-Formylpiperidin-1-Yl)Amino]Hexanoic Acid5Z-7-OxozeaenolN6-Iminoethyl-L-LysineAsp Gly ValSclareolide3-Hydroxy-2-Methylvalerate(3R)-3-Hydroxydodecanoic AcidD-Ribose-1-Phosphate5-Chloro-2'-DeoxyuridineHumilixanthin1-Phenoxy-2-PropanolPhe Glu Val GluLys-Asp4-Phenyl-1-(3-(Tetrahydro-2-Furyl)Propyl)Isonipecotic Acid Ethyl EsterTrans-3-Indoleacrylic AcidHovenine ADelta-ValerolactoneMilbemycin Alpha51-(4-Methylphenyl)Pyrrolidine-2,5-DioneGuanineLpg(12:0)ImigliptinGlu-Gln-ThrSpb(22:0_2O)TropateMoreollin(-)-Alpha-NarcotineAla Ile ArgIndole-3-CarboxaldehydeAcetanilideGlu-Val3-Hydroxy-3-Methylglutaric Methyl EsterLatrunculin ADgdg(14:0/16:0)10-HydroxyundecanoylcarnitinePyroglutamylprolineGln-Arg-ArgMyristyl SulfateProcarbazine2-Keto-4-Methylthiobutyric AcidGlu Pro GlyKaranjachromeneAsp ArgGlu-Ala-Ile2-Methylglutaric Acid3-Hydroxy-Tetradecanoic AcidAla Ile Ala(2S)-3-Hydroxy-1-[(2S)-Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carboxylic AcidCer(13:0_2O/3:0)Antibiotic X 14889CDynorphin B (6-9)18-Carboxy-Dinor-Lte4Glutamic AcidPro-ThrLeu Glu AlaApramycinHis-Glu-AspPg(15:0/16:0)His Ser Val Glu8-CyclopentyltheophyllineN-Myristoyl PhenylalanineNemonoxacinEpimelibioseHaloperidol(2E,5E)-3,5,7-Trimethylocta-2,5-Dienedioic Acid1,5-Dimethyl-1-Vinyl-4-Hexenyl AcetateVal-Ile-LeuPg(15:0/16:1)Asp-Tyr-Leu8-AminoguanosineDehydrocurvularin3-KetosphingosineCephalosporanic AcidHis-Val-AlaPc(12:0/0:0)Pe(13:0/0:0)N-CyclohexanecarbonyltetradecylaminePro Lys Gly4-Hydroxy-17Beta-Estradiol-2-S-Glutathione1-(2,4,6-Trimethyl-3-Nitrophenyl)Sulfonylpiperidine4-HydroxyisoleucineThreonylhydroxyprolineSarcosineCis-9,10-Epoxystearic AcidGamma-Glu-Leu5-[(Diaminomethylidene)Amino]-2-(Sulfanylmethyl)Pentanethioic S-AcidGly-Glu-Leu1-Ethyl-1'-(4-Propylphenyl)Sulfonylspiro[Indole-3,4'-Piperidine]-2-OneZalcitabineTrans-ZeatinSimmondsinCarboxymethyl ChitosanLeukotriene F42-Amino-4-Oxo-4-Alpha-Hydroxy-6-(Erythro-1',2',3'-Trihydroxypropyl)-5,6,7,8-TetrahydroxypterinMyristicanol APro-LeuDodecyl SulfateLys-Gly-LysGpgro(15:0/15:0)Piperonyl ButoxidePe(O-8:0/6:0)Pe(O-10:0/3:0)AureothinProscillaridinD-GlucosaminideAgmatineAla-Val-Pro4-EthylbenzaldehydePhloionolic AcidThr-Pro-TyrLeukotriene E32-[(2-Hydroxy-3-Methylbutanoyl)Amino]-3-Methylbutanoic AcidHispidulinLpe(15:1)N-(3-Acetamidopropyl)Pyrrolidin-2-OneLuprostiolFedratinibBisabolene-1,4-EndoperoxidePreladenantRehmannic Acid11-Hydroxy-12-Methyltetradecanoic AcidFasciculol FN2-Acetyl-L-OrnithineImidazoleacetic Acid RibosideTyr Gly Arg1-AcetylpiperidineLeukotriene D43H-Adrenaline(-)-Alpha-CedrenePe(14:0/14:0)Blumenol C Glucoside2',5'-DideoxyadenosineVal-IleGamma-Linolenoyl Dopamine(-)-ArctiinL-TryptophanAdouetine YTriethanolamine(2S,3'S)-Alpha-Amino-2-Carboxy-5-Oxo-1-Pyrrolidinebutanoic Acid4-{[3-(Diethylamino)Propyl]Amino}-4-Oxobut-2-Enoic AcidImidazolone A1-Acetyl-Beta-CarbolineGentamicin A SulfateAbsinthinGlu-Phe-TyrLpg(15:0)Asp-ProAb-MecaProlylhydroxyproline3-(1-Hydroxyethyl)-2,3,6,7,8,8A-Hexahydropyrrolo[1,2-A]Pyrazine-1,4-DioneAla-Ala-LeuUracil4-Ene-Valproic AcidTilmicosinMelleolidePicolinic AcidQuinaprilPe(O-16:1/2:0)Ala Glu GlnAsn-Phe3-MethylbenzaldehydePro Gln LeuImiglitazarCytosineAla Glu GlyArtabsin4-(Glutamylamino) ButanoatePro-PheMyristic AcidXanthopterinPyro-L-Glutaminyl-L-GlutamineN-[2-(Cyclohexen-1-Yl)Ethyl]-2-(1-Methylsulfonylpyrrolidin-3-Yl)AcetamideIle-Asn-TyrGamma-Glutamyl-S-(1-Propenyl)Cysteine Sulfoxide4-PyridoxolactoneQuinagolidaValyl-Prolyl-Glycyl-Valyl-Glycine8-Epiloganic AcidTetranorprostanedioic AcidXanthine Amine CongenerStatine24,24-Difluoro-1Alpha,25-Dihydroxyvitamin D3Rotundifoline(8Ar)-N,2-Diisopropyl-1,3-Dioxohexahydroimidazo[1,5-A]Pyrazine-7(1H)-CarboxamideAsp-Gly-AspMelagatranEthyl 4-(4-Benzylpiperazin-1-Yl)-2,6-Dimethylfuro[2,3-D]Pyrimidine-5-CarboxylateN-[(1-Cyclopropylsulfonylpiperidin-4-Yl)Methyl]Quinoxaline-2-Carboxamide11'-Carboxy-Gamma-ChromanolSec-O-Glucosylhamaudol9-Hydroxymegastigma-4,6,7-Trien-3-OneVal Val GluMatairesinosideLpe(15:0)3-Hydroxy-L-Proline1-Methoxyindole-3-CarbaldehydeAgarAlcoifosfamidePiliformic AcidAsp-Gly-ArgDodecylbenzene3-Aminopiperidine-2,6-DioneAsp-Leu((4-(4-Amidinophenoxy)Butanoyl)Aspartyl)ValineGentamicin C2Lenapenem4-Hydroxy NonenalHelminthosporic AcidPs(Pgf1Alpha/20:4(8Z,11Z,14Z,17Z))His-Gly-ArgGly-His-ArgGlycocholenate Sulfate[3-(3,5-Dimethyl-1H-Pyrrol-2-Yl)Pyrazol-1-Yl]-(4-Methylthiadiazol-5-Yl)MethanoneAlpha-AllocryptopineN-(3-Methylbut-2-En-1-Yl)-9H-Purin-6-AmineCanesceolP-Tolualdehyde4-(1-Acetyl-2,3-Dihydroindol-5-Yl)-N-[3-(2-Methylpiperidin-1-Yl)Propyl]BenzamidePe(15:0/15:0)QuinaprilatDeoxycholylglutamic AcidClopenthixol Decanoate3-[1-(3,5-Difluorophenyl)Sulfonylpiperidin-4-Yl]-6-Methylquinazolin-4-OneN-Acetyl-Muramic AcidTrypanothionePro Gln CysN-Acetyl-D-AlloisoleucineHexyl GlucosideValylhydroxyprolineWithanolide BGlycerophosphocholine3-Methylpentane-2,3,4-TriolN-(2-Hydroxyethyl)TetradecanamidePro-Asn-Ser1-(Malonylamino)Cyclopropanecarboxylic AcidMelanostatinCromakalim8-Hydroxylinoleic Acid2-Acetamido-3-(4-Acetamidophenyl)Prop-2-Enoic Acid4-Methyl-2-Phenyl-1H-Pyridazine-3,6-DioneXanthineDihomo-Alpha-Linolenic AcidL-GlutamineHis-LeuDispiro[1H-Perimidine-2(3H),1'-Cyclohexane-4',2(3H)-[1H]Perimidine]N-(4-Ethoxyphenyl)-3-[1-[6-(Ethylamino)Pyrimidin-4-Yl]Piperidin-3-Yl]PropanamideTetradeca-9,12-Dien-1-Ol2-Amino-2,3,6,7-Tetrahydro-1H-Pteridin-4-OneAlpha-Selinene2-Exo-Hydroxy-1,8-CineoleGlu-Lys2-Amino-2-Methylpropan-1-OlLpg(15:1)IndolineVal-Ala-Ile1,1'-[1,13-Tridecanediylbis(Oxy)]Bisbenzene2-Cyclotetradecen-1-OnePe(O-10:0/7:0)Mandelic Acid2-AminopurineCinnamoside6-Hydroxy-4-Methoxy-3-(3-Methyl-2-Butenyl)-2-(2-Phenylethenyl)Benzoic AcidThr-Leu-Ser1-(4-Chlorophenyl)-3-(4-Pyridin-2-Ylpiperazine-1-Carbonyl)Pyrrolidin-2-OneN-Arachidonoyl Threonine6-HydroxymethylpterinMisoprostol AcidSer-LeuSolasodineVal-Glu-Ile[4-(2-Fluorophenyl)Piperazin-1-Yl]-(1-Methyl-4-Pyridin-4-Ylpyrrol-2-Yl)MethanoneThr-Pro5,7-Dihydroxy-6-(3-Hydroxy-3-Methylbutyl)-3-(4-Hydroxyphenyl)Chromen-4-One5,6-Dihydro-5-AzacytidineLeu Ala IleArginyl-Prolyl-ProlineOrotic Acid3-Methyl-4-Cis-Hydroxy-2-ButenalCephalexinPiperidine5-Hydroxymethyl-2'-DeoxyuridineArg-AlaGlu-Asp-IlePro-ProGlycodeoxycholic Acid2-[(E)-2-(3-Nitrophenyl)Vinyl]QuinolineP-Mentha-1,3,8-TrieneIsocytosineMethylmalonic AcidVanillinGln-AlaNmnh3-Hydroxy-2,6,6-Trimethylcyclohexene-1-Carboxylic Acid(2R)-6-Methylpiperidine-2-Carboxylic AcidGlutaminyltryptophanUridine Monophosphate5-Nitro-2-(3-Phenylpropylamino)Benzoic Acid4-Piperidinecarboxamide2-[(3-Hydroxy-4-Methyltetradecanoyl)Amino]Acetic AcidTyr Phe IleCaffeic Acid3-Amino-2-Methoxynonadec-5-En-4-OlCis-4-HeptenalMet-Pro-TyrHis-His-ArgVulgaxanthin I2-Hydroxy-P-Mentha-1,8-Dien-6-OneIndole-3-Acetic AcidGalactoarabinanTyrosylhydroxyprolineDgdg(16:0/14:0)Pe(O-13:1/3:0)Kukoamine DPhenolGlu-Ser-Ala1-[5-(4-Fluorophenyl)Pyrimidin-2-Yl]-N-Heptylpiperidine-3-CarboxamideLeu Gln AlaFumaryl DiketopiperazineN1-AcetylspermidineHexaminolevulinateGlutamic Acid Diethyl EsterThiochromeGlucosamineL-Tert-LeucineAsp-Tyr-IleGingerglycolipid B2-Pyridylacetic AcidPantothenic AcidEthyl Diethanolamine3-Furoic AcidVal Ala PhePyridin-4-YlmethyldiazeneDeoxypyridinoline5(S),6(R)-7-Trihydroxymethyl HeptanoateIvabradine Hcl (Procoralan)N-MethylanilineTelenzepine(E)-3,10-Dihydroxy-4,9-Dimethyldodec-6-Enedioic AcidMethoprene Acid[2-(4-Propylphenyl)Quinolin-4-Yl]-(4-Pyrimidin-2-Ylpiperazin-1-Yl)MethanoneN-[(E)-2-Hydroxytridec-11-Enyl]Acetamide8-O-4-HydroxycinnamoylharpagideN-AcetylcadaverineGlucosylgalactosyl Hydroxylysine2-Keto-3-Deoxy-D-Gluconic Acid5-(2-Methylpropyl)-3,6-Dioxo-2-Piperazinepropanoic Acid1-Hexadecanoyl-Sn-Glycero-3-PhosphoethanolamineSer-Thr-Tyr(R)-MarminL-XylonateDehydrosoyasaponin ITridecanoic Acid2-Chloro-N-(2-Chlorophenyl)-N'-Hydroxybenzenecarboximidamide3-Hydroxybutyric AcidCytochalasin BN-AcetyltryptamineGlu-AlaFusidic AcidLys-Val-IlePhosphoribosylformylglycinamidineLpg(18:1)BiliverdinGly-Gln-IlePro Ser Tyr4-Hydroxyphenyllactic Acid1-MethylguanineCyclo-Prolylglycine11-Hydroxyyohimbine5-(2-Chloro-6-Fluorobenzyl)-3,4-Dimethyl-1,6-Dihydropyrano[2,3-C]Pyrazol-6-OnePeg N14CapsiatePeg N124-Methyl-5-Thiazoleethanol9-OxoodeGeranylcitronellol4-Hydroxybutanoic AcidPhe-Ser3-(Azepan-1-Ylsulfonyl)-1-[(3-Methoxyphenyl)Methyl]Pyridin-2-One4-Oxo-2-NonenalButyl (Z)-5,8,9-Trihydroxy-4-[(E)-2-Methylbut-2-Enoyl]Oxydec-6-EnoateAsp-Ala-ThrDiethanolamineN-(1-Deoxy-1-Fructosyl)LeucineAlongsideThiamineN,N-DiisopropylethylamineCis-3-Ethoxy-P-Menth-1-EneMethyl (3X,10R)-Dihydroxy-11-Dodecene-6,8-Diynoate 10-GlucosideTetradecyldiethanolamine4-IndolecarbaldehydeGly Pro IleIsoquercitrinL-TyrosinePg(16:0/16:0)Leu Asp1-Deoxynojirimycin1-O-Cinnamoyl-Beta-D-GentiobioseTrp Pro GluSpermidineProdiamineGlycerol GlutamatePg(15:0/17:0)Eleutherazineb2-Naphthylamine2-Hydroxycinnamic AcidN-(1-Deoxy-1-Fructosyl)GlycineAbu-Thr-Oh(6Beta,7Alpha,12Beta,13Beta)-7-Hydroxy-11,16-Dioxo-8,14-Apianadien-22,6-OlidePe(12:0/0:0)MiloxacinGly-Asp-GlnLdgts(14:1)Ser-Ile-Ser11-(2-Hydroxy-3,4-Dimethyl-5-Oxofuran-2-Yl)Undecanoic AcidButofilolol12-Oxo-2,3-Dinor-10,15-Phytodienoic AcidAspermytin A3-Tert-Butyladipic Acid7-HydroxyoctanoylcarnitineLeu-Ala-Ile3,7-Dihydropurin-6-OneSwerosideAsp-MetMomordicine IiiMethyl MethacrylateStreptolydiginLys-Lys-OhD-Pyroglutamic AcidN-(4-Oxopentyl)AcetamideLongifloroside AAcetophenone5-(4-Sulfophenyl)Undecane2-HydroxypyridineSer-Thr-PheTetradecanedioic AcidAla-Val-PheCreatinineHydroxyprolyl-Gamma-Glutamate1,2-CyclohexanediolN-Acetyl-L-AlanineHydroxypelenolideVal Ile GlyPyridoxineN-Acetylneuraminic AcidVal Ile GluLeu-Val-ProVal-Leu-SerVal-Asp9H-Pyrido[3,4-B]Indole-1-Methanol(S)-2-Acetamido-3-(4-Chlorophenyl)Propanoic AcidSterebin D3-Methyl-1-ButylamineMethylimidazole Acetaldehyde(3R,4Z,6R,7S)-3,6-Dihydroxy-7-Isopropyl-4-Methyl-10-Methylene-4-Cyclodecen-1-OneAllyl Acetic AcidCinobufagin5-MethyldeoxycytidineLeu-Leu8-HydroxyadenineGly-Tyr-SerPipecolic AcidBenzoic AldehydeN-Epsilon-Acetyl-L-LysineGln-Val-AlaDgdg(13:0/16:0)LigustrosideL-Gluconic AcidGlu-AsnDg(5-Iso Pgf2Vi/0:0/2:0)1-(4-Methoxyphenyl)-1-Penten-3-OneTryptopholL-Lysine1-Phenylpropane-1,2-DioneCyclopassifloic Acid BPs(Pgf2Alpha/20:4(5Z,8Z,11Z,14Z))Ile-Val-IleDimethylbenzimidazole2-Methylcitric Acid2-Aminomuconic Acid(3E,11Z,13E)-6-Hydroxy-16-Methyl-1-Oxacyclohexadeca-3,11,13-Trien-2-OneArg-IleSphinganineN(2)-Phenylacetyl-L-GlutaminateCer(8:1_2O/5:0)Trans-Zeatin Riboside DiphosphateNeotussilagineVinylacetyleneTraumatic AcidIle-Leu-IleDihydroorotic AcidAceneuramic Acid3-PhenylpropionylglycineAsi-2222,2,6,6-Tetramethyl-4-Piperidone2-HydroxybenzonitrileBeta-IonolBenzetimideEthyl 4-[(2-Ethoxy-4-Oxo-6,7,8,9-Tetrahydroquinolizine-1-Carbonyl)Amino]Benzoate20-Hydroxy-Leukotriene E4PreglabridinEmbelinLpg(14:0)(2S)-2-[[(2S)-2-Aminopropanoyl]-Naphthalen-2-Ylamino]Pentanedioic AcidMorronisideGly-Arg3-Amino-2-Phenyl-2H-Pyrazolo[4,3-C]Pyridine-4,6-Diol2-(Acetylamino)-2-Deoxy-Alpha-D-MannopyranoseO-Desmethyltramadol Glucuronide3-Hydroxy-5,5,8A-Trimethyl-3,4,4A,6,7,8-Hexahydronaphthalene-2-Carboxylic AcidCitreoviridin CCitreoviridin DAspartyl-Arginine11-Aminoundecanoic AcidPentostatinLeu-Val-PheS-(N,N-Diethyldithiocarbamoyl)-N-Acetyl-L-CysteineL-GalactoseVal-Asp-LeuTridecanedioic AcidLauryldiethanolamine2-O-Alpha-D-Galactopyranosyl-1-DeoxynojirimycinGuanidylic Acid (Guanosine Monophosphate)Lys-Phe4-Hydroxytoremifene3-Aminopentanedioic AcidSpb(16:0_2O)DihydrozeatinPenciclovirThr-Thr-IlePrednisone Acetate13-Hydroxy-12-Methyltetradecanoic AcidAsp-Ser-LeuChalepin AcetateAsn-Leu-LeuVirginiamycin M1CarmofurPhenethyl RutinosideGibberellin A432-Fluoro-N-(3-Pyridin-2-Yl-1,2-Oxazol-5-Yl)BenzamideLys AsnLpe(14:1)N-DocosahexaenoylethanolamineNeobetaninAla Ile AsnN-(3,5-Dimethylphenyl)-2-Phenyl-4-Pyridin-4-Ylpyrimidine-5-CarboxamideIle-LeuValylleucineSer-Val2-Oxomelatonin6-Hydroxy-2-Aminopurine(3,4-Dimethoxyphenyl)-[4-[(3,4-Dimethoxyphenyl)Methyl]Oxolan-3-Yl]Methanol(6R)-Folinic AcidSpermineArg-Phe-AspN-AcetylhomoprolinePhe-ArgGermacrenone3-HydroxymonoethylglycinexylidideAmarogentinLpe(14:0)Ser-Asp-ThrDinoterbBeta-Hydroxy-Gamma-Trimethylaminobutyric AcidTrachelogeninFebarbamateFa(18:5+2O)Pg(13:0/15:0)Docosahexaenoyl Ethanolamide[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-Oxohexan-2-Yl] (2S)-2-AminopropanoateArabinoseGln Glu AlaN,N-DimethylanilineNemifitideChebi:69439Cholylmethionine5-MethyluridineL-Cysteine, N-Acetyl-, Ethyl Ester4-Methyl-5-Oxo-2-Pentyl-2,5-Dihydro-3-Furancarboxylic AcidTropine3-(3,4-Dimethoxyphenyl)-6-Pyridin-3-Yl-[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazole3-(3-Indolyl)-2-Oxopropanoic AcidAsp-Asn-LeuAla-Phe-Ser5-Methyl-N,4-Bis(4-Methylphenyl)-1,3-Thiazol-2-AmineAlloimperatorinInosineStearoyl LysophosphatidylethanolaminePentadecanoylglycineLeu-Gln-ProN-Fructosyl Isoleucine2-Methylhippuric AcidLumichrome2-PyrrolidinoneN-Stearoyl CysteineIngenol MebutateN-(2-Hydroxyethyl)PentadecanamideYuzu LactonePe(13:0/14:0)Gln-Asp-LeuLys-GlyPe(O-9:0/6:0)Ala-GluIle-PhePirimicarbAnserinePro Tyr GlyN-(2-Piperidinophenyl)-N'-(2-Thienyl)UreaLysyl-GlycineLpe(18:1)ClothianidinAla-GlnDihydrostreptomycinSer-Gly-LeuCitrusinine IiIle Ile Leu2,3-Benzofuran2-Amino-3-Carboxymuconic Acid SemialdehydeDihydrouracilPhaseollinisoflavan4-Hydroxytamoxifen-O-GlucuronideTributyl Citrate2-(5-Benzyl-4-Oxopyridazino[4,5-B]Indol-3-Yl)-N-[2-(Diethylamino)Ethyl]Acetamide12S-HhtAsn-Phe-SerVanillylacetoneTyrosyl-IsoleucinePicrocrocin2-((N-(1-(1H-Imidazol-4-Yl)-2-Propyl)Imino)Phenylmethyl)PhenolAsp-Ile3,4-Methylenedioxybenzaldehyde1-Pyrroline1-Methylpseudouridine3-IsochromanonePg(5-Iso Pgf2Vi/22:5(7Z,10Z,13Z,16Z,19Z))Diphenyl Sulfoxide16-Hydroxy-10-Oxohexadecanoic Acid4-Amino-5-Hydroxymethyl-2-MethylpyrimidineMonotropeinCyclohexanecarboxylic AcidLys AlaLeu-GluRitipenem Acetoxymethyl EsterCyclosquamosin FDesacetyllevonantradolRubschisandrinThymidine3B-Hydroxy-6B-Methoxy-7(11)-Eremophilen-12,8A-Olide(2R,4S)-1-Tert-Butyl 2-Methyl 4-Aminopyrrolidine-1,2-DicarboxylateUndecanoic AcidVal-Ser6-Hydroxydodecanedioylcarnitine(S)-Hexahydropyrrolo[1,2-A]Pyrazine-1,4-DioneN,N-DimethylarginineGlobo-HAlanylprolineAsp-Gly-Ile(3Z)-Octadeca-3,17-Dien-12,14-Diyne-1,2,16-TriolPe(15:0/16:1)PalbociclibL-Aspartic AcidErucamideN-Cyclopropyl-2-(7-Methyl-3-Oxo-1,4-Benzoxazin-4-Yl)AcetamideMukurozidiol(1R,6R)-6-Hydroxy-2-Succinylcyclohexa-2,4-Diene-1-CarboxylateArg-Lys-GluCis,Trans-5'-HydroxythalidomideGln-Val-IlePs(Pgf2Alpha/22:6(4Z,7Z,10Z,13Z,16Z,19Z))HomodihydrocapsaicinChaetoglobosin NLl-2,6-Diaminopimelic AcidAsn Pro ThrThr-Asp-IleMangalkanyl GlucosideIle Leu GluPterinePro Pro Gln16-Hydroxyhexadecanoic AcidGly-Val-HisL-Glycine2-HydroxyarctiinAsp-ValN2-Succinyl-L-OrnithineAvocadenePe(15:0/16:3)TolueneGlycochenodeoxycholate-3-Sulfate1,3-Diphenylguanidine2-Hydroxymyristic AcidNorvalineAla-Pro-AsnDaidzein5,7-Dihydroxy-11-Ketotetranorprostanoic AcidfalseEcology-guided Bacillus SynCom from a rice–duckweed core reveals division of labor for concurrent growth promotion and sheath blight suppressionEcologically derived synthetic communities can provide robust plant benefits, yet generalizable rules for assembling multifunctional consortia remain limited. We hypothesized that a “top-down” community assembled from an ecological core would yield complementary functions and resilience superior to reductionist mixes. We distilled an eight-member, Bacillus-dominated synthetic community (SynM) from a rice–duckweed agroecosystem by targeting taxa consistently shared across soil, root and shoot niches. Under greenhouse conditions, the SynM concurrently promoted rice growth and suppressed sheath blight caused by Rhizoctonia solani, reducing the final disease index by 70% without detectable phytotoxicity. Leave-one-member perturbations (Dx), combined with untargeted LC–MS profiling and qRT-PCR of biosynthetic genes, revealed a division-of-labor architecture: individual strains specialized in auxin production, siderophore-linked iron mobilization, or lipopeptide/polyketide-based antagonism. These complementary yet partially redundant contributions mapped members, metabolite pools, plant outcomes and rendered community performance resilient to single-member loss. Across Dx contrasts, the complete SynM uniquely recovered the full suite of plant-growth metabolites (e.g., indole-3-acetic acid, acetoin/2,3-butanediol) together with antimicrobial chemistries (e.g., surfactin, bacillomycin, fengycin, difficidin). We formalize an assembly heuristic, ecological core, complementary functions, redundancy check, that links ecological origin to predictable, multi-trait performance. A top-down, ecology-guided route can generate a multifunction SynM with demonstrated greenhouse efficacy and mechanistic transparency. By coupling-member perturbations with multi-omics readouts, our study provides a transferable rule for building resilient plant-associated consortia and a tractable framework for future genetic and in-plant chemical confirmations.2025-09-222025-09-22MTBLS13022HMDB0060693HMDB0002322HMDB0000450;HMDB0245508HMDB0000679HMDB0000600HMDB0031919HMDB0001257;PW_C000971HMDB0001256;PW_C000970HMDB0001432HMDB0001276HMDB0257681HMDB0304762;LMFA08010017HMDB0000630HMDB0000650HMDB0031670HMDB0012251HMDB0013716HMDB0012497HMDB0000162;PW_C000106HMDB0035359HMDB0029052HMDB0250896HMDB0001104HMDB0004207HMDB0000112;PW_C000071HMDB0243878HMDB0006792HMDB0003357HMDB0006695HMDB0000301;HMDB0062562;PW_C000205HMDB0000132HMDB0000446HMDB0028819HMDB0028801HMDB0041337HMDB0001370HMDB0000167;PW_C000109HMDB0002113HMDB0246561HMDB0000148HMDB0302163HMDB0002284HMDB0000132;PW_C000086HMDB0245532HMDB0000696;PW_C000548HMDB0242337HMDB0002243HMDB0004816HMDB0014692HMDB0030522HMDB0247704HMDB0028955HMDB0000062;PW_C000044HMDB0028705HMDB0002393HMDB0252807HMDB0011718HMDB0004825HMDB0002641HMDB0000897HMDB0255140HMDB0000687;PW_C000540HMDB0257791HMDB0000206HMDB0303186HMDB0253886HMDB0252315HMDB0000239;PW_C000161HMDB0029952HMDB0253428HMDB0028922HMDB0000704HMDB0000157;PW_C000102HMDB0011180HMDB0028893HMDB0000050;HMDB0247583;PW_C000034HMDB0000273HMDB0000262;HMDB0010337;HMDB0000262;PW_C000179HMDB0028790HMDB0255152HMDB0029012HMDB0003254;HMDB0248237HMDB0242137HMDB0242108HMDB0028889;HMDB0253179;HMDB0028889HMDB0246860HMDB0000086HMDB0000473HMDB0031179HMDB0012150HMDB0029069HMDB0258330HMDB0028857HMDB0029581;LMFA01030100HMDB0000567;HMDB0000930;HMDB0000567;HMDB0000930HMDB0253472HMDB0254761HMDB0253349HMDB0301670HMDB0001129HMDB0030295HMDB0304096HMDB0062645HMDB0028691HMDB0030677HMDB0038890HMDB0242126HMDB0000999HMDB0250319HMDB0028954HMDB0000306;PW_C000210HMDB0035243HMDB0014336;HMDB0246122HMDB0259006HMDB0252520HMDB0060511HMDB0247079HMDB0038877HMDB0252876HMDB0035608HMDB0028871HMDB0303321HMDB0033161HMDB0258643HMDB0012607HMDB0247736HMDB0029106HMDB0256256HMDB0254014HMDB0000259;PW_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;PW_C001104;PW_C097007HMDB0030909HMDB0035188HMDB0247668HMDB0012143HMDB0013021HMDB0001987HMDB0304139HMDB0030651HMDB0254416HMDB0249363HMDB0255283HMDB0259215HMDB0259993HMDB0254723HMDB0254757HMDB0252347HMDB0258199HMDB0059788HMDB0029405HMDB0030294HMDB0033679HMDB0246435HMDB0030020HMDB0000269HMDB0014838HMDB0030523HMDB0303371HMDB0003218HMDB0041330HMDB0246518HMDB0035293HMDB0030905HMDB0259918HMDB0034780HMDB0245396HMDB0059610HMDB0012215HMDB0060285;HMDB0245270HMDB0250356HMDB0283321HMDB0247208HMDB0304813HMDB0302777HMDB0061709HMDB0037012HMDB0241289HMDB0039090HMDB0000220;LMFA01010001;PW_C000145HMDB0001388;LMFA01030152;PW_C001073HMDB0256752HMDB0250680HMDB0033704HMDB0245914HMDB0259826HMDB0244161HMDB0253027HMDB0032024HMDB0012535HMDB0031541HMDB0038026HMDB0251974HMDB0037543HMDB0000252;LMSP01010001;PW_C000172HMDB0031483HMDB0035887HMDB0013658HMDB0003012HMDB0032147HMDB0252749HMDB0014401HMDB0002376HMDB0035742HMDB0250583HMDB0032664HMDB0241941HMDB0031195HMDB0029388HMDB0033335HMDB0247717HMDB0248140HMDB0008924HMDB0036330HMDB0257752HMDB0038388HMDB0032323HMDB0247306HMDB0004181HMDB0014703HMDB0029598HMDB0255369HMDB0256664HMDB0255185HMDB0032538HMDB0248463HMDB0244944HMDB0248993HMDB0041287HMDB0000070;HMDB0000716;HMDB0000070HMDB0258487HMDB0001494;PW_C001151HMDB0001020HMDB0004437HMDB0004270HMDB0013690HMDB0038691HMDB0015570HMDB0296634HMDB0031675HMDB0008821;LMGP02010352;PW_C004869HMDB0250718HMDB0002117;LMFA08010004HMDB0251572HMDB0257138HMDB0304443HMDB0041220HMDB0040210HMDB0254756HMDB0002710;PW_C001687HMDB0006465HMDB0256579HMDB0245915HMDB0242329HMDB0031448HMDB0040896HMDB0040668HMDB0003073;LMFA01030141;PW_C001772HMDB0004704HMDB0006320HMDB0034084HMDB0039884HMDB0037013HMDB0254729HMDB0032622HMDB0012273;LMFA08010009HMDB0000573HMDB0032625HMDB0250404HMDB0259982HMDB0033910HMDB0032901HMDB0256086HMDB0251330HMDB0258433HMDB0036089;LMPR0102090020HMDB0015303HMDB0248208HMDB0256084HMDB0032358HMDB0059695HMDB0038482HMDB0034714HMDB0031617HMDB0246239HMDB0004669;LMFA02000251;LMFA02000274HMDB0012937HMDB0253485HMDB0250266HMDB0032014HMDB0002265HMDB0257360HMDB0029638;HMDB0303310HMDB0242055HMDB0060644HMDB0030200HMDB0031042HMDB0040899HMDB0282766HMDB0247556HMDB0036843HMDB0251254HMDB0254105HMDB0029867HMDB0255508HMDB0061167HMDB0014707HMDB0028933HMDB0247027HMDB0251818HMDB0304796HMDB0035046HMDB0014998HMDB0000011;PW_C000258HMDB0003407;LMFA12000012HMDB0033611HMDB0036123HMDB0259191HMDB0041802HMDB0029166HMDB0254199HMDB0041094HMDB0060745HMDB0029737HMDB0242405HMDB0259477HMDB0033198HMDB0037362HMDB0060721HMDB0013870HMDB0259573HMDB0244084HMDB0250648HMDB0301848HMDB0240687HMDB0010720;LMFA01030195HMDB0256114;HMDB0003828HMD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