MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14367/m_MTBLS14367_LC-MS_positive_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14367/m_MTBLS14367_LC-MS_negative_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14367/a_MTBLS14367_LC-MS_negative_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14367/s_MTBLS14367.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14367/a_MTBLS14367_LC-MS_positive_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14367/i_Investigation.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14367Metabolite identification was performed by searching the HMDB (http://www.hmdb.ca/), Metlin (https://metlin.scripps.edu/), and in-house Majorbio Database (MJDB) from Majorbio Biotechnology Co., Ltd. (Shanghai, China).MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phaseUHPLC-MS/MS analysis was conducted at Majorbio Bio-Pharm Technology Co., Ltd. (Shanghai, China) using a Thermo 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). The mobile phase comprised two solvents: Solvent A (0.1% formic acid in water: acetonitrile = 95:5, v/v) and Solvent B (0.1% formic acid in acetonitrile: isopropanol: water = 47.5:47.5:5, v/v/v). The flow rate was set at 0.40 mL/min, the column temperature was maintained at 40 , and the injection volume was 3 μL.Organ‑specific accumulation of flavonoids and terpenoids in Myricaria laxiflora based on non‑targeted metabolomics.Peking UniversityDuo KeaiRoot, stem, leaf, and flower of Myricaria laxifloramass spectrometry assayFor metabolite extraction, a 50 mg aliquot of each sample was placed into a 2 mL centrifuge tube, along with one 6 mm grinding bead. Metabolite extraction was performed using 400 μL of extraction solution (methanol: water = 4:1, v/v) containing 0.02 mg/mL of the internal standard (L-2-chlorophenylalanine). Samples were ground for 6 minutes (-10 , 50 Hz) using a Wonbio-96c frozen tissue grinder (Shanghai Wanbo Biotechnology Co., Ltd., China), followed by low-temperature ultrasonic extraction for 30 min (5 °C, 40 kHz). The samples were incubated at -20 for 30 minutes and then centrifuged at 13,000 × g and 4 °C for 15 minutes. The supernatant was transferred to an injection vial for LC-MS/MS analysis.Myricaria laxiflorahttps://www.ebi.ac.uk/metabolights/MTBLS14367Initially, the data matrix was preprocessed as follows: metabolic features detected in at least 80% of samples in any group were retained; missing values were imputed with the minimum value of the corresponding feature; each metabolic signature was normalized to the total sum. To reduce errors from sample preparation and instrument instability, mass spectrometric peak response intensities were normalized using the sum normalization method, resulting in a normalized data matrix. Additionally, variables with a relative standard deviation (RSD) > 30% in QC samples were excluded. The remaining data were log10-transformed to generate the final data matrix for downstream analysis.Groupkeaiduoduo998@126.comField sampling was conducted on November 28, 2024, during the full flowering stage of M. laxiflora. A randomized block design was employed, with six 5 m × 5 m quadrats established along the riparian zone, spaced of 10 m apart. These quadrats served as independent biological replicates (n = 6). Within each quadrat, three healthy M. laxiflora individuals showing uniform growth and no visible signs of pests or diseases were randomly selected. Samples were collected from four organs: roots (R), stems (S), leaves (L), and flowers (F). Sampling strictly followed standardized protocols: R samples were composed of fine and lateral roots collected after topsoil removal; S samples were taken from current-year branches; L samples were functional leaves; and F samples consisted of fully open inflorescences. To minimize individual variation, tissues of the same organ type from the three plants within each quadrat were pooled to form a single composite sample for analysis. Immediately after collection, all samples were rinsed with distilled water to remove surface contaminants, blotted dry with filter paper, snap-frozen in liquid nitrogen, and stored at -80 prior to untargeted metabolomics analysis. MetabolomicsThermo Scientific Vanquish UHPLC SystemMetabolomicsFlavonoid metabolitesRoot, stem, leaf, and flower of Myricaria laxiflorauntargeted analysisThermo Scientific Q Exactive HF-Xnon-targeted metabolomicsRoot, stem, leaf, flower, QC70-1050Myricaria laxifloraTissue-specificThermo Scientific Vanquish UHPLC SystemMetabolomicsFlavonoid metabolitesRoot, stem, leaf, and flower of Myricaria laxiflorauntargeted analysisThermo Scientific Q Exactive HF-Xnon-targeted metabolomicsRoot, stem, leaf, flower, QC70-1050Myricaria laxifloraTissue-specificMass spectrometric data were acquired using a Thermo UHPLC-Q Exactive HF-X Mass Spectrometer with an electrospray ionization (ESI) source operating in both positive and negative ion modes. The optimized conditions were as follows: auxiliary gas heating temperature, 425; capillary temperature, 325; sheath gas flow rate, 50 psi; auxiliary gas flow rate, 13 psi; Ion-spray voltage floating (ISVF), -3500 V (negative mode) and 3500 V (positive mode); normalized collision energy, 20-40-60 eV (rolling for MS/MS); full MS resolution, 60,000; MS/MS resolution, 7,500. Data were acquired in Data-Dependent Acquisition (DDA) mode, with a detection mass range of 70-1050 m/z.Panaxacol4-HydroxynonenalPregeijerene(E)-3-(2-Hydroxyphenyl)-2-propenalSyringic AcidPhenylacetylglutamineApo-10'-violaxanthalN1,N10-DicoumaroylspermidineKaempferol-3-O-GlucosideSyringaresinol(S)-4-Hydroxymandelonitrile2-Keto-6-acetamidocaproate(+)-trans-Carveol9-Hydroxy-7-megastigmen-3-one glucosideAuxin aQuercetin 3-sulfateCitrusin E(1S,4S)-DihydrocarvoneAlpha-Bisabolol oxide BAlpha-Bisabolol oxide ACitrullineScopoletin(S)-CarvoneEnol-phenylpyruvateLinalool2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one4-HydroxybenzaldehydeN2-AcetylornithineAzaleatin 3-glucoside9-cis-Retinoic acidPilocarpineN2-Succinyl-L-ornithineIndole-3-acetylglutamic acidAgnuside3,4-Dihydroxymandelic acidEremopetasidioneN6-Acetyl-L-lysineMevalonic acidAbscisic alcoholBoldioneQuercetin 3-O-glucuronideChrysoeriolXanthoplanineGamma-GlutamyltyrosineWithanolideLoxoprofenGlyceollin IIPerillyl alcoholIsophoroneSanguiin H1CarotolArtemorinBlepharinCis-QuinceoxepaneN5-(4-Methoxybenzyl)glutamine(3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraeneViburtinal8-Acetoxy-4-acoren-3-oneDehydrocarpaine IPantothenic acid1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucosePristanic acidHydroxytanshinone(2S,2'S)-Pyrosaccharopine6-Thioxanthine 5'-monophosphateL-DOPA 3'-glucosideHerierin IV3-Hydroxychavicol 1-glucosideCrustecdysoneSoyasaponin IVN6-Acetyl-5S-hydroxy-L-lysineAminoadipic acidDide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsinTectorigenin 4'-sulfateL-3-Cyanoalanine4-MethoxybenzaldehydeNaringin2-PentanoneHesperalineNeryl rhamnosyl-glucosideDihydrophaseic acidBetavulgarin2alpha-Hydroxypyracrenic acid7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one3beta-3-Hydroxy-18-lupen-21-oneEremopetasinorolL-Carnitine(3b,22a)-12-Oleanene-3,22,24,29-tetrol 3-[arabinosyl-(1->3)-arabinoside]Alpha-IononeAvocadene 2-acetateD-Vacciniin2,6,6-Trimethyl-2-cyclohexene-1,4-dioneAdenosine4-Ipomeanol3-beta-D-galactosyl-sn-glycerol(S)-2-Aceto-2-hydroxybutanoic acid2-Hydroxyestradiol(5alpha,6beta,14alpha,20R,22R)-5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide15(s)-hpete(S)-Actinidine5-Deoxykievitol3-Hydroxybutyric acidTangeretinL-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acidStearidonic acid5-MethylcytosineOleanolic acid4-(Glutamylamino) butanoateUridine diphosphate glucoseMethyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucosideSphingosineCirsiliol2'-Hydroxy-3,4',5',7,8-pentamethoxyflavone(S)-10,16-Dihydroxyhexadecanoic acidR-10-HydroxywarfarinGibberellin A8MedioresinolMusabalbisiane C9,12,13-TriHOMEDocosadienoate (22:2n6)DiferuloylputrescineValeric acidZeatin2-Isopropyl-3-oxosuccinateDimethyltryptamine3-Propyl-1,2-cyclopentanedioneCrithmumdiol(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside]Hesperetin 3'-O-sulfateGanodermatriol8-Isoprostaglandin F2aHumilixanthin(1R,2R,3S,1'R)-Nepetalinic acidLinusitamarin(3Z,6Z)-3,6-Nonadien-1-olLuteolin 7-sulfateSupinidineEthyl (S)-3-hydroxybutyrate glucosideIsolicopyranocoumarinUmbelliferoneSagittariol6-Gingerol2,5-Heptadien-1-olGuanineAlpha-Elemolic acid5-p-Coumaroylquinic acidLucidenic acid D2(Z,Z)-3,6-Dodecadien-1-olIxabepilone7-Nonene-3,5-diyn-1-olMethyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucosideSalicylic acid beta-D-glucoside5-Phenyl-1,3-oxazinane-2,4-dioneGossypetin2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-oneIndole-3-Carboxaldehyde(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diolPinocarveol3-Oxo-alpha-ionol 9-[apiosyl-(1->6)-glucoside](S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinoneBeta-D-Glucopyranosyl-11-hydroxyjasmonic acidMelledonal A1-(2-Furanyl)-2-propanone7-Methoxy-6-methyl-2H-1-benzopyran-2-oneXi-2,2,6-Trimethyl-1,4-cyclohexanedione8(R)-Hydroperoxylinoleic acidMedicanine5,8,12-Trihydroxy-9-octadecenoic acid2-(1-Pentenyl)furan3-(3,4-Dihydroxyphenyl)lactic acidHumulenol I4-Pyridoxic AcidNeryl propionateGlucocaffeic acidMethyl 4-chloro-1H-indole-3-acetateMethyl cinnamate4-Isopropyl-3-cyclohexene-1-carboxylic acidAlpha-IroneN-[(5-Hydroxy-2-pyridinyl)methyl]adenosineStearic acid1,4-IpomeadiolIpomeanine1-Octen-3-yl primeveroside5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indeneCinncassiol C1 19-glucosideHydroquinoneDiethyl L-malateVulgarinWogoninDibutyl malateBenzofuranCucurbic acidGanoderol AGanoderol BBeta-Spathulene3-Methyl-1,2-cyclohexanedione2,3-Dihydroabscisic alcoholD-1,5-Anhydrofructose12-Oxo-2,3-dinor-10,15-phytodienoic acidChalconosakuranetin5-Methoxyindoleacetate(E)-2,6-Dimethyl-2,5-heptadienoic acid4-Hydroxy-3-methoxy-cinnamoylglycineAllysineTrans-Cinnamyl alcohol(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucosideTuberononePhenylethyl primeveroside(3E,5Z)-3,5-Octadien-1-olViolet-leaf aldehydeRose oxide (cis)Benzyl butyl ether2-Methoxyestrone 3-glucuronideButyryl-L-carnitineProstaglandin J2ThymineGanoderic acid theta(2S,4S)-PinnatanineIsonicotinic Acid(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide9,10-dhomeLuteolin 4'-glucoside 7-galacturonide22-Hydroxydocosanoic acid1-NaphtholHydrocinnamic acidMetyrosineQuercetin 3-galactosideJasmine ketolactonePhyscion3,7-DimethylquercetinDanieloneMyristoleic acidEpioxylubimin9-Octadecenamide, N-(2-hydroxyethyl)-, (9Z)-ChrysaloinStearaldehyde(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol13-Nor-6-eremophilene-8,11-dione3'-Methoxytricetin 7-glucuronidePe(p-16:0/5:0)Salicin3,4-Dimethyl-1,2-cyclopentanedioneIsochorismate5-HydroxykynurenamineDihydroceramide13-L-Hydroperoxylinoleic acidTrans-Cinnamic acidLubiminol16-Hydroxy-10-oxohexadecanoic acid2-Phenylethyl beta-D-glucopyranoside(E)-4'-Methylresveratrol 3-glucosideSoyasapogenol ESoyasapogenol F(S)-4',5,7-Trihydroxy-6-prenylflavanoneHomofureanolOsmaronin3-Ethyl-1,2-cyclopentanedione2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-oneL-TryptophanGenipinic acidPulegoneEnokipodin DDopamineGamma-Dodecalactone6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium17-Hydroxylinolenic acidTamarixetin8-Acetoxypinoresinol3-O-GalloylhamamelitanninN-Oleoylethanolamine3 HydroxycoumarinBiotin sulfoneTestosteroneSoyasapogenol BLeukotriene B42-Ethyl-3-methylpyrazine, 9CIOleanolic aldehydeEicosadienoic acid15-kete4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-oneXanthoxylinUracilL-gamma-Glutamyl-beta-phenyl-beta-L-alanineSquamocin BMyricanol 5-(6-galloylglucoside)Cinnamaldehyde(R)-2,3-Dihydroxy-isovalerate(E,E)-Trichostachine4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanoneAlliosterol 1-rhamnoside 16-galactosideR-4'-HydroxywarfarinSolerol3-Phenylpropanal9-Oxo-nonanoic acidScolymosideBehenic acidIsorhamnetin-3-O-RutinosideCytosineDihydrojasmonic acidArtabsinDaucolIsopiperitenoneGentisyl AlcoholBeta-D-Glucose 6-phosphate3-(3-hydroxy-4-methoxyphenyl)propanoic acid2-Hydroxy-2,6,6-trimethylcyclohexanoneA Methyl farnesoate4-Methoxy-1-naphthol6alpha-CarissanolFuranogermenoneTricin 7-glucuronosideCyclodopa glucoside17alpha-Estradiol12-oxo-PDASolavetivone(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-oneVanillin AcetateAdrenic acid2-Phenylethyl propanoate3-Furanmethanol glucosideAlpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose1-(beta-D-Glucopyranosyloxy)-3-octanone2-C-Methyl-1,4-erythrono-D-lactoneRetrocalaminHomovanillic acid5-Ethoxysorgoleone 358Undecylenic acidHarmalineZerumbonePectacholAlpha-CyperolGermacrone-13-alSapidolide ADatiscetin-3-O-RutinosideGeranyl hexanoateLuteolin 7-glucuronideHeptadecanoic acidCalystegin A35-keteL-Histidine trimethylbetaine5-Amino-6-ribitylamino uracilAminoacetone3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal2,6-Di-tert-butyl-4-ethylphenolN-Acetyl-L-phenylalaninePalmitic acidTrans-Piceid4,5-Dihydrovomifoliol2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one16-Hydroxyhexadecanoic acid3-Hydroxy-10'-apo-b,y-carotenalM-Coumaric acid(2E,4E)-2,4-DodecadienalHomoeriodictyolEpoxyeremopetasinorolLucidumol BPhysalin CLuteone 7-glucoside1,2-Dihydro-1,1,6-trimethylnaphthaleneProcyanidin B5Epigallocatechin gallateIsoswertiajaponinDihydrojasmone4-Imidazolone-5-propionic acidAmbonic acid4-Hydroxy-3-methoxy-2,10-bisaboladien-9-oneRotundifolone1-Aminocyclopropanecarboxylic acidEpsilon-Caprolactone(2'E,4'Z,8E)-Colneleic acid(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucosidePinostilbenosideCalamendiol6-Hydroxypentadecanedioic acidMaysin 3'-methyl etherHydroxyphenyllactic acidDorsteniolCitronellyl formate2-Hydroxyacorenone2-Keto-6-aminocaproateEthyl 2-furanyl diketone(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-oneLinoelaidic acidAbscisic Acid3-Hydroxy-beta-iononeNobiletin(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-olCis-Caffeic acidCibaric acidKhellinCapsidiolAloesol5alpha-Androstane-3beta,17beta-diolN-Acetylmuramate2-Aminomuconic acid semialdehydeCandicineXanthohumol B2-Hydroxyphenylacetic AcidDolicholideSebacic Acid(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrolMenadioneAcacetin3-Amino-4-methylpentanoic acidCitroside AEremopetasinorone A3-MethylindoleS-AdenosylhomocysteineVisnaginIpomeabisfuranN-trans-FeruloyloctopamineIsovitexin 2''-O-glucosideDehydrozingeroneBeta-Thujaplicin9-OctadecenamideEtrogol2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol(1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-oneThromboxane B2AscladiolJasmolone4-Hydroxyphenylpyruvic acid(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid3,4-DihydroxyphenylacetaldehydePiperidinePerillic acidL-CoprineDethiobiotinArecaidine13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acidAlpha-Dimorphecolic acidCyclohexanecarboxylic acid4,5-Dihydroniveusin AApo-15-zeaxanthinalPisumic acid(7'R*,8'S*)-Methyl 4,7'-epoxy-3,8'-bilign-7-ene-4',9'-dihydroxy-3',5-dimethoxy-9-oate2,3,4,5-Tetrahydro-2-pyridinecarboxylic acid5-Hydroxy-L-tryptophanEstrone3-Isovalidene-3alpha,4-dihydrophthalide22-Acetylpriverogenin BAvocadyne 4-acetateBlighinone3-Isopropylmalic acidLimocitrin 3-rhamnosideOsmundalinAscorbalamic acid3-deoxy-D-manno-octulosonateGarcinia lactone dibutyl esterMS 32-Methylbenzoic acidCalystegine B2ScoparoneButyl 3-O-caffeoylquinateXi-7-Hydroxyhexadecanedioic acid4alpha-MethylzymosterolBiotinTsugaric acid AL-Proline(Z)-10-Hydroxy-8-decene-4,6-diynoic acidHerierin IIIArtemidiolGanodermanondiolAstin I2-FuranmethanolN-Methylanthranilic Acid6''-O-MalonyldaidzinProstaglandin-c2Ursolic acidGenipic acidIngenolCalystegine C12-Phenyl-1,3-propanediol monocarbamate4,11,13,15-Tetrahydroridentin BGluconapoleiferinPratenol B(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol3beta-7-Drimene-3,11-diolYuzu lactoneSclareol9,10,13-TriHOME2-HydroxycineolEstriol2-PropylphenolN-Acetyl-L-glutamate 5-semialdehydeQuinoline-4,8-diol(3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-oneGinkgolide A4-Hydroxybenzeneacetonitrile4',5,6,7-TetramethoxyflavoneSantamarinIsoferulic acidBlumealactone CDihydrocapsaicinAlpha-SinensalCyclokievitoneIrilone 4'-glucoside3-epi-6-deoxocathasterone5-HydroxyindoleacetylglycineDihydrocortisolDelta-12-Prostaglandin J215h-11,12-eetaClausarinol(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediolOctanal(-)-medicarpin-3-O-glucosideTetradecanol(R)-beta-Aminoisobutyric acid2-Methoxybenzoic Acid1,6,9-Farnesatriene-3,11-diolHexadecanedioic acid2-Propylfuran4-Hydroxy-3-polyprenylbenzoate3-Carbamoyl-2-phenylpropionaldehydeEthyl (Z,Z)-5,8-tetradecadienoateVulgaroleD6-Ambrettolide(R)-8-Acetoxycarvotanacetone1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranosidePisatin3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid(R)-11,12,13-Trinor-1(5),6,9-guaiatrien-8-oneCaffeoyl C1-glucuronideOxalacetic acidCer(d18:0/14:0)PetasinineGeijerone6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one4'-O-MethylkievitonePolyporusterone G1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-Kaempferol 3-O-arabinoside7-Ethoxy-4-methyl-2H-1-benzopyran-2-oneCurdione4-Methyl-5-ThiazoleethanolGeranylcitronellol(S)-ValerianineNiveusin C16-B1-phytoprostaneIsocyperol7-Ethyl-5,6-dihydro-1,4-dimethylazuleneDiethanolamineCorchorusoside CExaltolideAromadendrinPatulin(R)-Piperitone(+/-)-1-(4-Methylphenyl)ethanolIsoquercitrinHomogentisic acidL-DopaAflatoxin B24-O-Methylgallic acid(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acidIneketoneGinsenoside RfRyanodine2,4-UndecadienalSucroseAcoric acidKaempferide11-Hydroxy-9-tridecenoic acidLentialexin(-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-oneN-JasmonoylisoleucineLeonuriside ACaffeic acid 3-O-sulfate4-Trimethylammoniobutanoic acidPhloretin(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acidCurcumenoneFuraneol 4-glucosideHarmalolSphondin(3Z,6Z)-3,6-NonadienalGermacrone 4,5-epoxide6-Methoxymellein5beta-1,3,7(11)-Eudesmatrien-8-one1-Hydroxyibuprofen3-Hydroxybenzyl alcohol glucosidePiperitenoneNelumbosideGeosmin1-HexanolDihydrosinapic acidGinsenoside RoMethyl helianthenoate F glucosideDTDP3,4,4-Trimethyl-1,2-cyclopentanedioneBeta-IononeLignans3-Methoxybenzenepropanoic acidFormyl-5-hydroxykynurenamineDihydrocapsiateDehydrocurdioneLysergamideDehydrocyanaropicrin13-hode5'-Methylthioadenosine4-MethylumbelliferoneBenzoic Acid(3R,5Z)-5-Octene-1,3-diol13-Tetradecene-1,3-diyne-6,7-diol(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranoneErinacine GErinacine DHydroxypelenolide(E,E)-2,4-OctadienalPyridoxine10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al5-Methoxydimethyltryptamine1,2-Dihydronaphthalene-1,2-diolCampesteryl p-coumarateOctahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one2-PhenylacetamideYucalexin P21Carboxy-ibuprofenAesculin(E)-10-Hydroxy-8-decenoic acidTrans-p-Coumaroyl beta-D-glucopyranosideGeranic AcidGentisinZedoarondiolOsmundalactonePalmitic amideHeliangin10,20-Dihydroxyeicosanoic acidQuinceoxepineIsofebrifugine3-Hydroxy-p-mentha-1,8-dien-7-alPiperdialL-Hypoglycin A[6]-Gingerdiol 5-O-beta-D-glucopyranosideMomordicoside CKievitone(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid7-HydroxyheptaphyllineCDP-ethanolamineDelta-HexanolactonePipecolic AcidHeliannone C3-Phenylpropyl acetateFloionolic acid4-AcetylzearalenoneGinsenoside Rh1(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-oneDehydrovomifoliol1-DihydrocarveolSedanonic acidTryptopholL-LysineCapsiamide9,10-Epoxyoctadecenoic acidMauritine A1-Dehydro-[6]-gingerdioneDodecanoic acidGenipinSimulanoquinolineGermacrene DAlectrolBeta-Sitosterol 3-O-beta-D-galactopyranosideDIBOA trihexoseNeotussilagine2-PhenylpropanalPiperalolErinapyrone AErinapyrone BErinapyrone CPunicic acidCubebinGrossamide5-(3-Pyridyl)-2-hydroxytetrahydrofuran(2'E,4'Z,7'Z,8E)-Colnelenic acidSinensetin13-Oxo-9,11-tridecadienoic acidCis-4-Hydroxy-D-prolineCinncassiol A 19-glucoside3-HydroxycarbamazepineNeoxanthin3,14-Dihydroxy-11,13-dihydrocostunolideNaringenin7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone 7-glucosideHeteroxanthinL-Homoserine1-Acetoxy-2-hydroxy-16-heptadecen-4-oneSugeonol4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one(3b,24x)-Cycloartane-3-oxo-24,25-diolP-Mentha-1,3,5,8-tetraene5,7-Dihydroxy-3-methoxyflavoneStyrene OxidePorphobilinogen20-Hydroxy-leukotriene E4Linalyl acetateEugeninL-Epicatechol11,12,13-Trinor-1(10)-spirovetivene-2,7-dioneRicinoleic acidL-Galactose3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acidHomopisatin(R)-Byakangelicinn 2'-(3-methylbutanoate)Alpha,gamma-OnoceradienedioneHexamethylquercetagetinXi-Tetrahydro-3-propyl-2H-pyran-2-oneL-N-(1H-Indol-3-ylacetyl)aspartic acid2-Hydroxy-p-mentha-1,8-dien-6-one5-AminopentanalAspirinPsilocin1-Acetoxy-2-hydroxy-16-heptadecyn-4-oneXylobioseSerotoninKaempferolMomilactone ALycopersiconol6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one(+)-Neomenthyl acetate4-Guanidinobutanoic Acid(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-olMacrophorin AGamma-Aminobutyric acidCapillarisinAx-4''-Hydroxy-3-'-methoxymaysinHexyl benzoate11,13-Dihydrotaraxinic acid glucosyl esterKievitone hydrateCosmosiinDhelwanginPhytosphingosineHypoglycin BEpoxyganoderiol CMyricanol 5-glucosideXi-2-Hexyl-5-methyl-3(2H)-furanone(S)-9-Hydroxy-10-undecenoic acidValerenic acidShyobunyl acetateIndoleacrylic acidBn-NCC-2Benzyl acetatePeperinic acidAlpha-Linolenic acidLactapiperanol D(Z)-But-1-ene-1,2,4-tricarboxylateAflatoxin Q1(all-Z)-8,11,14-Heptadecatrienal2-Acetyl-5-methylfuran(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside(+)-lariciresinolDiketogulonic acidGermacrenone2-Hydroxy-3-(4-hydroxyphenyl)propenoic acidMethyl JasmonateTrans-zeatin ribosideTsugaric acid A 21-glucosyl ester3,11,12-Trihydroxy-1(10)-spirovetiven-2-oneCyperoloneHippuric acid(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-oneGibberellin A24Moracin LGibberellin A8-cataboliteDehydrophytosphingosine2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside]2-Methylbenzaldehyde4'-Methylliquiritigenin 7-rhamnoside3-Hydroxyphenylacetic AcidMoracin PCytarabineHamamelitannin4-Phenyl-2-butenalDe-O-methylsimmondsinGamma-delta-Dioxovaleric acid6-Acetyl-1,2,3,4-tetrahydropyridineEthyl (2E,4Z,7Z)-DecatrienoateGamma-GlutamylleucineThreo-SyringoylglycerolCavipetin CCoixinden BCoixinden A7-Aminomethyl-7-carbaguanine(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid2-trans,6-trans-FarnesalTaraxacosideAnofinic acidLumichromeGanoderiol C(3S)-3,6-DiaminohexanoateIcariside B8Ethyl salicylatePregnenolone(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]Lucidenic acid J(R)-2-BenzylsuccinateSalicylic AcidGamma-ChaconineMatsutakic acid AAntibiotic SB 202742Cafamarine5-Hydroxy-p-mentha-6,8-dien-2-one3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acidVestitone 7-glucosideRhamnetinQuestin(S)-5-Amino-3-oxohexanoate3-HydroxybenzaldehydeGeniposidic acidN,N-DiethylbenzeneacetamideValproic acid7-HydroxycostolVanylglycol5-Caffeoylquinic acidAceteugenolTetrahydrodeoxycorticosteroneLucidone CMg(14:0/0:0/0:0)Maslinic acidCartorminPtelatoside AN2-FructopyranosylargininePtelatoside BAnacardic acidAflatoxin B1 diolNeocnidilide[6]-Gingerdiol 5-acetateApigeninVulgaxanthin II(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucosideL-2-Amino-3-methylenehexanoic acidChavicolPicrocrocinConiferyl Aldehyde4',7-Di-O-methylcatechinAscorbigen5,7-Dihydroxyflavone2-OxoarginineGinsenoside F1AndrosteroneButanalElenaic acidAnnosquamosin BMethyl 2,4,6-trihydroxybenzoateNeryl glucosideS-Acetyldihydrolipoamide-EPedunculaginExo,exo-1,8-Epoxy-p-menthane-2,6-diolHericene BPhenyl acetateCitromitin1,3-Dihydroxypropan-2-yl formateHexadecenal7-Methylxanthosine5,7-DihydroxyisoflavoneD-Ribulose(+/-)-Citronellyl acetate(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acidMelleinAdipate semialdehyde1-Pyrroline-5-carboxylic acid4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one9,10,13-Trihydroxystearic acidElenolideTraumatinOxypurinol(E,E)-11,13-Octadecadien-9-ynoic acidCajanol5'-Deoxyadenosine(R)-Pterosin BCynaropicrin4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone4-Formyl-3-(formylmethyl)-4-hexenoic acidChebulagic acidAlpha-Terpineol propanoatePyrrolidineAlpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanolQuercetin 7-glucosideDecarbamoylsaxitoxinAvocadene(+/-)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acidArctiopicrin(E)-CasimiroedineIsocolumbinS-LactoylglutathionePalmyrolide ASantin(1S,2S,4R,8R)-p-Menthane-1,2,9-triol14,15-DiHETrE(1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylatefalseOrgan-specific accumulation of flavonoids and terpenoids in Myricaria laxiflora based on non-targeted metabolomicsBackground Myricaria laxiflora, an endangered species endemic to the water-level fluctuation zone of the Yangtze River, plays a critical role in riparian ecosystem conservation. However, a comprehensive understanding of its organ-specific metabolic composition remains scarce. Method A non-targeted metabolomic approach incorporating Pearson correlation analysis, principal component analysis, differential metabolite screening, and KEGG pathway enrichment analysis, was utilized to investigate the tissue-specific metabolic profiles across M. laxiflora organs (root, stem, leaf, and flower. Results A total of 1377 metabolites were identified, with secondary metabolites comprising the largest proportion, predominantly terpenoids and flavonoids. Differential metabolite analysis revealed the highest number of dominant metabolites in root (R, 289), followed the flower (F, 97), stem (S, 66), and leaf (L, 26). Terpenoids were most abundant in F and R, while flavonoids were more prevalent in S and L. KEGG pathway enrichment analysis revealed all four organs shared key flavonoid-related pathways, with organ-specific enrichments observed. F uniquely displayed a terpenoid-focused metabolic profile, L exhibited the most diverse set of pathways, including monoterpenoid biosynthesis, S showed substantial overlap with L, and R was the only organ enriched in all three flavonoid-related pathways. Reconstruction of the flavonoid biosynthesis pathway revealed distinct metabolic flux partitioning: F directed flux toward apigenin and kaempferol branches, L accumulated naringenin and quercetin, S contained a broad array of flavonoids, and R acted as a hub for upstream intermediates. Conclusion These results highlight significant organ-specific metabolic specialization in M. laxiflora, with a coordinated spatial distribution of secondary metabolic pathways. This metabolomic profile provides a robust foundation for understanding the species’ metabolic adaptations and highlights its potential as a source of bioactive terpenoids and flavonoids for further pharmacological 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