#METABOLOMICS WORKBENCH Zzm_20251107_181827 DATATRACK_ID:6639 STUDY_ID:ST004350 ANALYSIS_ID:AN007262 PROJECT_ID:PR002759 VERSION 1 CREATED_ON November 14, 2025, 2:01 pm #PROJECT PR:PROJECT_TITLE Untargeted metabolomic analysis of the metabolic effects of HADHB lysine 292 PR:PROJECT_TITLE succinylation and desuccinylation PR:PROJECT_SUMMARY HADHB succinylation status variations may influence metabolic states. We PR:PROJECT_SUMMARY generated stable H9C2 rat cardiomyocyte cell lines expressing HADHB mutants. PR:PROJECT_SUMMARY Untargeted metabolomics revealed that the succinylation and desuccinylation PR:PROJECT_SUMMARY states at lysine 292 of HADHB may affect the Beta Oxidation of Very Long Chain PR:PROJECT_SUMMARY Fatty Acids. PR:INSTITUTE Nanchang University Second Affiliated Hospital PR:LAST_NAME Zeng PR:FIRST_NAME Zhimin PR:ADDRESS nanchang, nanchang, jiangxi, 330006, China PR:EMAIL 2zm@163.com PR:PHONE 15979727903 #STUDY ST:STUDY_TITLE The metabolic effects of succinylation and desuccinylation of HADHB at lysine ST:STUDY_TITLE 292 ST:STUDY_SUMMARY To elucidate the metabolic effects of succinylation and desuccinylation at ST:STUDY_SUMMARY lysine 292 (K292) of HADHB, we generated stable H9C2 rat cardiomyocyte cell ST:STUDY_SUMMARY lines expressing HADHB mutants. Specifically, lysine 292 was substituted with ST:STUDY_SUMMARY arginine (K292R) to mimic the desuccinylated state and with glutamic acid ST:STUDY_SUMMARY (K292E) to mimic the negatively charged succinylated modification. Non-targeted ST:STUDY_SUMMARY metabolomic profiling was performed on three groups—wild-type (WT), ST:STUDY_SUMMARY desuccinylation-mimic (K292R), and succinylation-mimic (K292E)—with six ST:STUDY_SUMMARY biological replicates per group. The metabolomic analysis revealed that ST:STUDY_SUMMARY succinylation at K292 of HADHB in cardiomyocytes leads to distinct metabolic ST:STUDY_SUMMARY alterations, particularly affecting the fatty acid β-oxidation pathway. ST:INSTITUTE Nanchang University Second Affiliated Hospital ST:LAST_NAME Zeng ST:FIRST_NAME Zhimin ST:ADDRESS nanchang, nanchang, jiangxi, 330006, China ST:EMAIL 2zm@163.com ST:PHONE 15979727903 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 6 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 SU:GENOTYPE_STRAIN HADHB-K292R、HADHB-K292E #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS C1 C1 Sample source:H9C2 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=C1.mzML SUBJECT_SAMPLE_FACTORS C2 C2 Sample source:H9C2 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=C2.mzML SUBJECT_SAMPLE_FACTORS C3 C3 Sample source:H9C2 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=C3.mzML SUBJECT_SAMPLE_FACTORS C4 C4 Sample source:H9C2 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=C4.mzML SUBJECT_SAMPLE_FACTORS C5 C5 Sample source:H9C2 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=C5.mzML SUBJECT_SAMPLE_FACTORS C6 C6 Sample source:H9C2 cells | Genotype:Wild-type RAW_FILE_NAME(Raw file name)=C6.mzML SUBJECT_SAMPLE_FACTORS R1 R1 Sample source:H9C2 cells | Genotype:HADHB-K292R RAW_FILE_NAME(Raw file name)=R1.mzML SUBJECT_SAMPLE_FACTORS R2 R2 Sample source:H9C2 cells | Genotype:HADHB-K292R RAW_FILE_NAME(Raw file name)=R2.mzML SUBJECT_SAMPLE_FACTORS R3 R3 Sample source:H9C2 cells | Genotype:HADHB-K292R RAW_FILE_NAME(Raw file name)=R3.mzML SUBJECT_SAMPLE_FACTORS R4 R4 Sample source:H9C2 cells | Genotype:HADHB-K292R RAW_FILE_NAME(Raw file name)=R4.mzML SUBJECT_SAMPLE_FACTORS R5 R5 Sample source:H9C2 cells | Genotype:HADHB-K292R RAW_FILE_NAME(Raw file name)=R5.mzML SUBJECT_SAMPLE_FACTORS R6 R6 Sample source:H9C2 cells | Genotype:HADHB-K292R RAW_FILE_NAME(Raw file name)=R6.mzML SUBJECT_SAMPLE_FACTORS E1 E1 Sample source:H9C2 cells | Genotype:HADHB-K292E RAW_FILE_NAME(Raw file name)=E1.mzML SUBJECT_SAMPLE_FACTORS E2 E2 Sample source:H9C2 cells | Genotype:HADHB-K292E RAW_FILE_NAME(Raw file name)=E2.mzML SUBJECT_SAMPLE_FACTORS E3 E3 Sample source:H9C2 cells | Genotype:HADHB-K292E RAW_FILE_NAME(Raw file name)=E3.mzML SUBJECT_SAMPLE_FACTORS E4 E4 Sample source:H9C2 cells | Genotype:HADHB-K292E RAW_FILE_NAME(Raw file name)=E4.mzML SUBJECT_SAMPLE_FACTORS E5 E5 Sample source:H9C2 cells | Genotype:HADHB-K292E RAW_FILE_NAME(Raw file name)=E5.mzML SUBJECT_SAMPLE_FACTORS E6 E6 Sample source:H9C2 cells | Genotype:HADHB-K292E RAW_FILE_NAME(Raw file name)=E6.mzML #COLLECTION CO:COLLECTION_SUMMARY H9C2 cells were purchased from Pronova (Punosai/Pronova-style naming), and a CO:COLLECTION_SUMMARY lentiviral system designed by Hanheng was used to introduce a lysine-to-arginine CO:COLLECTION_SUMMARY mutation at position 292 in HADHB (K292R) to generate a non-succinylated mutant, CO:COLLECTION_SUMMARY and a lysine-to-glutamate mutation at the same site (K292E) to mimic CO:COLLECTION_SUMMARY succinylation. Stable cell lines were established for HADHB-K292R CO:COLLECTION_SUMMARY (non-succinylated mutant) and HADHB-K292E (succiny-lation-mimetic). Seed six CO:COLLECTION_SUMMARY replicates per group from three growth conditions into 10 cm culture dishes. CO:COLLECTION_SUMMARY When the cells reach confluence, wash 2–3 times with pre-chilled PBS, add 1 mL CO:COLLECTION_SUMMARY of chromatography-grade methanol to each dish, detach the cells with a scraper, CO:COLLECTION_SUMMARY and transfer them to a 2 mL cryovial. Snap-freeze in liquid nitrogen for 15 CO:COLLECTION_SUMMARY minutes and then store at −80°C. Non-targeted metabolomics sequencing was CO:COLLECTION_SUMMARY performed on the three groups. CO:SAMPLE_TYPE Rat H9C2 cell line #TREATMENT TR:TREATMENT_SUMMARY No treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A 500 μL solution (Methanol: Water = 4:1, V/V) containing internal standard was SP:SAMPLEPREP_SUMMARY added into the sample and vortexed for 3 min. The sample was placed in liquid SP:SAMPLEPREP_SUMMARY nitrogen for 5 min and on the dry ice for 5 min, and then thawed on ice and SP:SAMPLEPREP_SUMMARY vortexed for 2 min. This freeze-thaw circle was repeated three times in total. SP:SAMPLEPREP_SUMMARY The sample was centrifuged at 12000 rpm for 10 min (4 °C). All of the SP:SAMPLEPREP_SUMMARY supernatant was transferred and concentrated. A 100 μL solution (Methanol: SP:SAMPLEPREP_SUMMARY Water = 7:3, V/V) was used to reconstitute the sample. Then the sample was SP:SAMPLEPREP_SUMMARY vortexd for 3 minutes, and sonicate for 10 minutes in an ice bath. The sample SP:SAMPLEPREP_SUMMARY was then centrifuged at 12000 rpm for 3 min (4 °C). A 80 μL aliquots of SP:SAMPLEPREP_SUMMARY supernatant were transferred for LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY All samples were for two LC/MS methods. One aliquot was analyzed using positive CH:CHROMATOGRAPHY_SUMMARY ion conditions and was eluted from T3 column (Waters ACQUITY Premier HSS T3 CH:CHROMATOGRAPHY_SUMMARY Column 1.8 µm, 2.1 mm * 100 mm) using 0.1 % formic acid in water as solvent A CH:CHROMATOGRAPHY_SUMMARY and 0.1 % formic acid in acetonitrile as solvent B in the following gradient: 5 CH:CHROMATOGRAPHY_SUMMARY to 20 % in 2 min, increased to 60 % in the following 3 mins, increased to 99 % CH:CHROMATOGRAPHY_SUMMARY in 1 min and held for 1.5 min, then come back to 5 % mobile phase B witnin 0.1 CH:CHROMATOGRAPHY_SUMMARY min, held for 2.4 min. The analytical conditions were as follows, column CH:CHROMATOGRAPHY_SUMMARY temperature, 40 °C; flow rate, 0.4 mL/min; injection volume, 4 μL; Another CH:CHROMATOGRAPHY_SUMMARY aliquot was using negative ion conditions and was the same as the elution CH:CHROMATOGRAPHY_SUMMARY gradient of positive mode. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1% acetic acid CH:SOLVENT_B 100% acetonitrile; 0.1% acetic acid CH:FLOW_GRADIENT 0–2 min: 5%–20% B; 2–5 min: 20%–60% B; 5–6 min: CH:FLOW_GRADIENT 60%–99% B; 6–7.5 min: 99% B; 7.5–7.6 min: 99%–5% B; CH:FLOW_GRADIENT 7.6–10 min: 5% B (re-equilibration) CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 40 CH:CHROMATOGRAPHY_COMMENTS Reversed-phase separation was performed on a Waters ACQUITY UPLC HSS T3 column CH:CHROMATOGRAPHY_COMMENTS (1.8 µm, 2.1 × 100 mm). The mobile phases consisted of (A) water with CH:CHROMATOGRAPHY_COMMENTS 0.1% formic acid and (B) acetonitrile. The flow rate was 0.3 mL/min. The CH:CHROMATOGRAPHY_COMMENTS gradient started at 2% B, increased linearly to 98% B over 15 min, held CH:CHROMATOGRAPHY_COMMENTS for 2 min, and then returned to initial conditions for re-equilibration. The CH:CHROMATOGRAPHY_COMMENTS column temperature was maintained at 40 °C, and the injection volume was CH:CHROMATOGRAPHY_COMMENTS 2 µL. #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS All the methods alternated between full scan MS and data dependent MSn scans MS:MS_COMMENTS using dynamic exclusion. MS analyses were carried out using electrospray MS:MS_COMMENTS ionization in the positive ion mode and negative ion mode using full scan MS:MS_COMMENTS analysis over m/z 75-1000 at 35000 resolution. Additional MS settings are: ion MS:MS_COMMENTS spray voltage, 3.5 KV or 3.2 KV in positive or negative modes, respevtively; MS:MS_COMMENTS Sheath gas (Arb), 30; Aux gas, 5; Ion transfer tube temperature, 320 °C; MS:MS_COMMENTS Vaporizer temperature, 300 °C; Collision energy, 30,40,50 V; Signal Intensity MS:MS_COMMENTS Threshold, 1*e6 cps; Top N vs Top speed, 10; Exclusion duration, 3s. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples R1 R2 R3 R4 R5 R6 E1 E2 E3 E4 E5 E6 C1 C2 C3 C4 C5 C6 Factors Sample source:H9C2 cells | Genotype:HADHB-K292R Sample source:H9C2 cells | Genotype:HADHB-K292R Sample source:H9C2 cells | Genotype:HADHB-K292R Sample source:H9C2 cells | Genotype:HADHB-K292R Sample source:H9C2 cells | Genotype:HADHB-K292R Sample source:H9C2 cells | Genotype:HADHB-K292R Sample source:H9C2 cells | Genotype:HADHB-K292E Sample source:H9C2 cells | Genotype:HADHB-K292E Sample source:H9C2 cells | Genotype:HADHB-K292E Sample source:H9C2 cells | Genotype:HADHB-K292E Sample source:H9C2 cells | Genotype:HADHB-K292E Sample source:H9C2 cells | Genotype:HADHB-K292E Sample source:H9C2 cells | Genotype:Wild-type Sample source:H9C2 cells | Genotype:Wild-type Sample source:H9C2 cells | Genotype:Wild-type Sample source:H9C2 cells | Genotype:Wild-type Sample source:H9C2 cells | Genotype:Wild-type Sample source:H9C2 cells | Genotype:Wild-type Adenosine monophosphate 144855492.3 237051826.8 121782594.3 143584042.4 367215000.2 83153111.4 155712678.9 230353137.1 144202088.5 328623944.3 336757808.2 199094799 136706956 19545365.15 317630293.4 260378416.4 375950423.4 315456201.5 Uridine-5'-monophosphate 36785181.3 45559096.21 37694691.48 20363708.61 32275195.96 20338923.37 41389839.7 30164096.26 40736375.43 35639096.84 43089220.56 29340605.15 20707928.81 11345292.12 33044110.81 30199321.33 33282360.36 25901642.2 Citric acid 311256753.6 238774618.1 196206242.2 138871190.2 209810472.8 232579888.8 361779577.3 370581429.9 274621269 528456480.9 420987680.9 345221770.6 296123578.7 225137767.6 287961388.6 488207509.3 266167119.5 204990980.8 Azelaic acid 446083601.4 344523701.7 238221648.9 882051693.6 1246269070 831501681.3 407873090.5 377326282.4 207634220.4 1091989060 951208676.7 605641420.6 589659086.9 312497350.2 476584263.1 865902767.4 809409910.7 200181904.2 L-Tryptophan 1011815387 880604158.5 566560943.2 507128093.2 811142854.9 348666875.1 593788358.6 959746948.7 536734079.2 810015947.5 677629385.8 635174834.2 1811338166 2101458683 2141407452 970459185.5 870040001.7 817090015.4 Adenosine 1502812.91 3187456.92 922790.49 12862866.93 7216187.39 3391685.56 95502.91 52175174.2 575322.01 11074431.42 11667308.53 9656790.25 39588659.54 180295761.7 18413961.5 10575908.83 22376631.45 20488791.89 N-Phenylacetylglycine 11151550.28 14681086.03 7054776.43 2899028.99 4216305.01 2318395.5 6028932.9 19171739.13 7737304.09 3268790.82 2795902.73 6581165.22 84974347 87872948.2 94181812.44 2973098.37 4852310.68 5128492.29 FFA(16:1) 101811022.1 70188552.72 89716034.91 94617927.01 175991479.5 50741096.79 127032392.2 127354291.6 67125601.4 98247175.13 90122588.91 97245893.38 166587212.4 197070757.8 114262212.9 100882735.5 145755273.1 147978279.7 Suberic acid 90723436.83 68404663.33 56665925.76 96309062.98 141272797.6 127273219.7 97830826.27 70623900.6 60898404.94 120403606.2 99368153.07 73770895.82 92243499.45 95456261.73 208366442.6 93343607.4 96079394.62 69149543.55 4-Nitrophenol 177860621.1 239142120.8 182329225.9 257423908.7 328748001.8 308885753.7 188164520 283149817 169257126.3 381754143.1 344537831 352696867.9 269420758.6 280088031 280017394.4 426458652.8 392612543.6 331682697.2 5'-Deoxy-5'-(Methylthio) Adenosine 25331926.83 23244087.6 17626269.73 21687645.35 32680209.71 18238121.78 20592883.84 24109655.81 17242254.44 33327519.4 31330472.07 32456522.85 51085185.98 65311689.98 62523648.57 38800717.88 45668222.64 31559860.3 L-Aspartic acid 41145459.23 112355460.5 30268037.57 16217263.95 40804335.23 18548104.4 29732627.34 47346809.69 24323103.76 31809175.98 60645063.63 56481032.15 35312244.1 47615562.47 41519933.1 79442286.76 37507746.8 30362287.82 L-Glutamic acid 308153895.2 255221393.7 230330741 137691256.5 189102894.3 280941180.7 264781988.1 204961341.7 229462856.1 233514294.3 231491545 219690373 229874997.2 256087041.5 226326375.3 245892411.8 205889931.3 193889931.6 Adenine 91119619.74 35624155.68 9851322.65 59225551.65 60873217.86 38658364.92 8729057.57 374947934.6 9912522.93 77000522.81 81647248.47 59012727.19 4556884.96 1163189808 114242100.3 60927641.99 154909608.8 156037850.4 Leucinic acid 297136010.4 401865854 463685040 290060399.7 490273315.4 291143996.3 319814257 319090987.8 365621822.4 184990242.1 247541219 284907573.2 676430863.3 467169634.1 164913262.5 177193028.8 293790724.5 530979945 4-Ethyloctanoic acid 416906586.8 488779917.9 382233022 562854838.5 810157810.1 287863976.9 439337729.3 712078217.8 380590975.7 620776606 1029142312 524217905.9 483220007.7 473743561.1 511453993.5 610025658.8 748996855.8 777679356.5 Inosine 1264709.17 2474168.87 677832.26 13730843.36 2193133.12 574579.32 5014376.19 6868277.17 6179023.22 1878800.32 1217451.41 1351603.94 16901906.35 84594735.43 2348454.1 2858822.34 2453188.29 1163859.94 FFA(19:1) 24616242.24 39436194.3 30024578.5 36474341.81 55379865.34 42601325.63 62448155.44 46000043.55 39604483.52 44824915.27 48362857.97 70665510.66 67112570 125395810.7 90848229.86 60350162.4 66289590.04 128104745.1 FFA(18:1) 108106808.3 76752143.5 74155878.22 251883953.1 348817957.5 646698175.2 196303236.8 190068238 346187428.5 221141050.9 331905096.6 281196018.8 557638708.3 429525900.7 216710045.3 326834826.9 357165322.4 183017998.1 L-Lysine 6435798.93 5561248.32 3875718.28 3384820.82 5080772.24 3054597.71 3180834.36 4640324.35 5246369.28 6514952.86 4571912.98 1886721.54 22592168.15 28682758.28 27920532.23 4780330.34 4648890.28 8355978.38 Cholic acid 27845091.18 27912889.51 33354799.97 27385890.22 27448380.6 27215790.92 29496383.36 21424048.49 30079945.52 23575626.72 33794776.75 25915304.52 26138447.49 30484546.4 26267868.58 19355359.81 23353533.27 22860095.97 Hydroxyphenyllactic acid 76652146.39 82663435.86 38782892.34 41385399.39 46362094.51 27807162.82 64503077.93 150809945.2 49574495.59 29408075.49 40295020.57 59157400.27 80946051.66 162151297.5 168211026 31848106.01 38125087.1 62248161.42 Indole-3-carboxaldehyde 14663958.24 15251346.33 12616316.22 8806653.16 19674826.36 10370230.05 15196351.29 24585081.37 10435791.93 14688900.94 17781387 15043804.63 25952350.48 36057292.25 34616513.47 15149819.6 24939797.22 17521432.25 Guanosine-5'-monophosphate 13821593.91 14683711.84 14666902.47 8522239.31 17610967.47 7062553.67 16081332.18 11605904.08 16960125.75 12290296.96 14854160.26 4991814.04 3212714.82 7341387.51 13630708.02 10030502.3 14571862.87 13826326.88 LPE(18:1/0:0) 191480327.2 216297610.6 208988019.8 42315788.86 63452976.31 42875450.16 134632860.5 296516554.9 204241541.2 138695878 59717421.84 138347933.1 196717207 501059042.3 257115976.5 166586381.4 70435057.53 75637087.17 Vanillin 86491733.34 67575283.11 53782797.36 48385827.5 52470921.52 41698017.66 41685079.6 129828863.8 52433621.57 36191238.2 39886999.86 44739976.56 133649715.3 104173918.5 74038493.53 48035099.55 41732706.96 54426575.46 Tauroursodeoxycholic acid 2971378.34 3491082.88 2970503.55 1796976.91 5438087.14 1730837.01 2431283.79 3695424.83 1717147.34 2775122.53 1965836.21 653974.6 25445281.65 16337642.02 16894215.96 1899726.91 3608563.19 3079376.38 Uridine 13050480.08 18142606.66 8401362.7 22820730.15 30272266.69 9159644.55 6479962.53 50444057.71 4499031.36 23084653.34 19307709.1 13803125.12 7324769.1 311289328.8 32608916.02 18116287.82 36107858.25 30007694.21 4-Hydroxybenzaldehyde 895290766.7 1231939954 733022448.3 1247575314 1872890065 542817283.5 740350050.2 1625043335 722438692.9 1504251102 1375173307 1187480496 1076937062 1483227217 1263193787 1395765703 1835457566 1898070473 FFA(11:0) 69334193.83 73749173.37 63558217.08 65054934.68 90134447.31 47055479.9 54423354.71 117549141 56512383.13 87647301.78 88316879.6 68993062.46 91113110.09 67667861.94 63850612.32 74989484.26 100945734.1 110226447.2 Butylparaben 14164514.21 16054310.38 12568294.56 19415881.4 19767752.35 18292723.92 14701448.49 13595905.93 14238777.8 22577377.59 22267796.93 18831522.98 14686678.62 16943150.45 15282044.25 23116343.19 20235347.68 108816041.3 FFA(14:0) 50854424.4 130276205.8 78095784.6 109070958.4 154627962.3 121970259.2 100887165.5 70270349.61 72754993.31 134372669.7 132192343.1 115902170.4 153925758.1 66784624.68 60895102.3 147681557.9 109087129.9 194023676 Pyroglutamic acid 15096051.52 14277174.91 9263215.5 5988924.76 9194651.67 2504940.42 8046768.43 12635740.92 10211672.19 9398855.44 5396588.39 5218850.95 48024677.41 31244194.49 55797630.48 7413867.91 9475287.7 11939098.83 Salicylic acid 121902081.3 147294042.8 140144105.8 164169781.6 243002272.1 189898602.7 103300456.3 167214602 185324563.1 216621625.5 153638745.5 218768065.8 173732360.2 180498743.7 219698827 298270507.8 245655285 204914045.6 Undecanedioic acid 70448306.49 54318227.69 35214835.41 59026504.24 79469998.82 44628007.33 55277096.18 62793122.66 29411268.29 64356635.19 64297453.63 40758935.48 97919246.91 71122351.71 59212548.62 57624736.26 60526635 56759106.8 Arachidonic acid 15974588.83 18092206.77 10972842.44 74442533.88 107175132.3 36382844.13 10402494.14 398926408.5 10691070.15 58939288.7 50604681.46 63995660.12 15675209.98 575176247.9 93842135.31 59433310.93 200013862.9 209265946.2 cis,cis-Muconic acid 223560322.7 545917681.2 434353996.5 486077178 181973801.5 249794564.3 450948845.8 533976524.6 283646306.8 352519707.5 479095019.7 374106961.7 967543878 912312798.4 149429450.5 434949988.9 467077921.3 467870680.9 Taurocholic acid 49491.91 119075.24 108761.55 15968 60627.74 16299 23762.18 38114.15 26635.92 22637.63 95512.52 26799.98 533243.12 298186.21 789164.7 125065.84 67419.09 32606.48 FFA(13:0) 34887308.88 32846492.68 26934584.92 22694997.24 30332629.35 37050280.22 29266767.47 37392762.59 26130884.68 22018098.64 22815272.63 26661046.81 29932872.78 33259711.4 28043985.77 27792518.75 33164335.15 41365942.34 DL-Glyceraldehyde 3-Phosphate 18760556.67 17915196.21 19036545.39 13391501.9 13878241.87 29450907.28 28654491.77 10202494.22 22810897.02 29649570.22 24136050.65 22061842.89 23527971.7 34243805.85 16843066.82 33273738.81 13321882.77 13997296.76 Geranic acid 47125973.48 53456604.77 34982488.25 63776439.48 80509395.88 20501397.51 55105462.02 93627561.32 38568870.13 67897915.74 87492377.62 66841091.67 45886850.27 57431074.33 59000678.46 59367741.51 96325839 96843503.7 12-Hydroxydodecanoic acid 17277226.08 13862372.17 8962790.73 10120791.8 10914745.91 6190397.71 12565670.83 19336900.38 6204378.45 11904318.98 9846867.1 8892930.71 23766041.94 13270080.47 11604694.04 10734095.28 11584884.83 15904322.09 FFA(10:0) 105338198.1 50852792.04 49625947.13 58729501.68 81780684.32 41084013.44 200416240.9 79167657.21 80541428.54 102584543.8 61530096.48 78808470.41 85598530.96 43258347.58 43533638.71 94453482.77 116704758.3 101182116.7 1,11-Undecanedicarboxylic acid 63688627.52 43536428.38 29827506.05 43295970.62 55983904.67 27298232.53 45356267.9 64633933.3 26675251.04 44738795.67 46229639.8 31950611.79 85045365.17 37525199.9 52495794.5 40577815.99 43902276.68 60515681.93 Glu-Leu 14571320.04 16517233.92 9835452.7 23890257.22 28609221.76 9255606.74 8422860.44 22281840.72 13556654.33 34441145.97 34232416.09 22053273.93 38255081.11 41574703.24 67224726.75 28896468.42 27622613.54 24558596.64 Uridine diphosphate glucuronic acid 14116591.43 15813934.3 19891470.56 5834404.97 1607163.78 11723699.86 19865759.59 4723173.67 17615463.61 7044994.43 14377241.8 15062306.16 11353121.5 12901073.59 8874616.74 8632029.75 1693051.36 1240678.51 Pyruvic Acid 82642233.58 74952343.8 161434257 51387280.48 51048114.44 160487529.1 89038408.06 92343345.23 102500684.6 93548634.15 121266058.1 56525582.41 278420135.2 278823389.4 304869643.3 62036951.22 49719213.47 58167351.12 Glycyl-L-tyrosine 24557629.1 25381136.68 29609938.35 10782184.83 8199655.66 11681554.04 14035882.72 11631988.01 43197677.14 13931971.25 13310583.02 15595939.29 230813598.5 197420166.7 76481045.36 15212196.4 20794439.05 50608322.08 Hexadecanedioic acid 124579817.8 153117637.1 44987419.53 49524079.02 81523047.41 11215728.51 131906060.7 110810559.3 48438973.52 45009180.63 45621194.06 46155051.21 174008895.9 55978100.52 166202643.9 96742089.79 95226287.02 88769590.37 Tetradecanedioic acid 37531919.58 28440419.69 20650605.17 25604527.64 29894333.28 16682686.85 30796367.06 39968489.44 16056856.41 23849267.69 26064789.79 17583276.98 58961778.5 24858027.67 31679006.18 24488767.25 25047361.29 46643904.89 9-Decenoic acid 15502816.77 25722399.7 10903127.16 14605876.49 37831021.33 23784934.6 17257322.12 25275469.27 16037725.11 30735878.15 22540267.36 13089761.89 12426421.43 23941949.62 17428259.47 31398782.55 39910530.8 31855968.82 Isobutyric acid 26095108.12 87955343.09 24437535.66 39495726.98 138134735.3 10264036.5 32035036.23 108793295.9 26314262.2 48083455.86 39301735.76 34497100.3 38681226.27 23909038.16 109236955.5 30857317.12 121159666.1 158130933.8 Methylparaben 26114765.39 34419444.43 24895146.51 30433715.39 41335053.88 29926351.84 29367875.25 35340135.08 27429542.31 36416451.62 33756274.32 33959916.92 37801932.39 42888770 34865228.61 40096140.52 45140011.94 47258236.94 Ketoleucine 3357082373 3475673683 2079389245 1810141194 3683805842 1008243153 1795502519 4439635402 1950017178 3296442276 2899043425 2608140110 9136122234 9837207690 11651140596 2434404831 3631628950 3002282506 L-Serine 31809100.23 19681080.19 17895428.61 12644065.77 14931202.03 20291877.08 19394610.86 17684244.96 22648529.25 18958465.6 14392789.68 14279878.86 23849445.35 29049165.98 43897195.25 16214753.37 12359751.17 30837326.9 Traumatic acid 21137138.62 12179628.2 10483479.41 24076409.68 25608541.79 22443460.13 12318599.92 12952230.3 13578956.53 30077835.92 25860015.42 21311197.59 25609584.15 16078666.17 16466191.6 27465066.54 26942183.26 14178710.84 12-Hydroxystearic acid 157124793.4 130635542.1 80851370.07 129529511.2 132268405.3 68754751.76 176588010.6 81266056.49 78602809.68 105061854.1 118562513.8 102972641.5 255749854.1 33712906.83 137928994.2 107056469.7 113550804.3 62501453.94 Guanosine 3438082.05 636506.12 2880806.63 1020213.92 3147401.35 2760410.75 3245952.55 11879778.21 3630917.75 1894713.13 1548229.17 989827.35 3433247.81 7822865.14 3231020.57 855454.87 3080202.27 2984686.35 Monobutyl phthalate 79117904.12 72896823.87 65553599.97 76707853.93 73310004.51 68534275.45 72602978.69 74773870.6 61924103.4 73643459.67 74118385.58 74572351.12 86476470.92 74355843.24 76099717.21 82030163.54 87818047.4 81367679.77 LPC(16:0/0:0) 9237833.84 8938920.7 3252427.99 3990741.71 11623579.77 2873656.14 6737166.25 14638290.95 5370511.63 10539933.35 13477086.82 9150589.33 8551669.68 10408600.83 12863367.85 9610763.08 12664186.12 11070342.26 4-Methyloctanoic acid 55254987.7 62816787.56 50113784.92 80006471.09 116726357.5 41880674.46 1282119246 2578688020 1211429842 85650497.05 78803480.85 65806154.31 55406344.62 1753108516 69132986.45 74815661.4 94486614.81 94160470.8 Valeric acid 16348442.51 46682444.43 16150944.02 28639565.46 93605412.61 3391240.25 22405531.6 77565725.63 18597273.02 37734112.11 29085607.67 25112216.14 24211758.91 20187324.25 70814992.99 23181801.46 82897621.62 106712776.7 Xanthine 15346429.14 15311480.73 7569773.22 7439039.7 12255237.44 5334296.9 7535466.87 13238854.73 8692233.39 12268873.78 8677239.84 6309557.72 59209141.4 42418200.89 79396747.29 9219041.31 12263160.21 12282030.01 Xanthotoxol 30280647.37 30871906.65 28147425.28 36880317.28 59086879.38 17165703.79 21024411.99 41769356 19268379.04 30832515.81 24953627.99 39744490.77 53402151.78 31202060 37009280.24 29501012.77 44796975.52 54667051.09 3-Hydroxyvalproic acid 53223007.94 40611328.49 32588944.74 106469764.4 130170184 78551176.55 45688172.15 52159294.77 28811654.2 123948736.9 114732085.5 74714243.72 75330246.11 44190098.43 41453914.4 98035336.49 108150850.9 29887032.73 5-Phenylvaleric acid 75309708.19 76787452.61 74351659.06 85346596.76 114487019.7 66738002.5 72878984.01 94835473.9 72832020.8 85234153.89 79124735.91 79134083.09 94125478.87 84261726.86 77934061.05 89820129.18 109898575.9 121309824.2 Uridine-5'-diphosphate 326033005.7 101021047.7 186767918 77590658.21 296757253.1 110444827 151252623.9 136620050.1 118177342.9 107727499.3 94643152.38 71050460.48 86938330.19 87437376.15 314437001.9 154186508.7 241802922.2 94229796.38 Tropate 8665696.5 15870859.29 8969415.06 9949385.26 16862121.78 4929375.83 11290851.29 29224512.98 10735172.63 11907860.78 9738053.6 8601984.9 24435646.16 28733732.93 48832386.56 10259658.73 17945386.68 21476527.75 Gemfibrozil 33304946.61 32200097.41 27149256.89 42120830.7 52888156.04 38223784.25 33148961.87 41545218.29 26856005.4 51448742.81 39295768.69 50191187.63 52716444.79 43316580.28 37391263.44 46306484.19 71038857.6 83447943.74 Benzenebutanoic acid 29499160.74 31266921.48 26768989.63 31866736.43 233878795.7 25806977.89 28133118.88 188058599.4 25777156.15 36911740.59 35122711.74 32978448.03 35500635.19 35432667.28 32506231.93 34274278.75 43875217.86 43561525.79 9(S),12(S),13(S)-TriHOME 22187981.54 15160750.17 9849575.21 33367184.21 24778356.97 9074800.98 14490779.65 18788679.39 7555554.16 31380507.81 18565802.97 12129517.64 35502408.5 15111448.9 17898991.58 17572797.56 32442508.76 2638125.55 Ureidoisobutyric Acid 13146535.79 11100197.6 64109084.11 17930840.4 23667907.62 22012031.55 9732005.58 63817404.95 6282902.43 24129926.45 31660030.66 24169061.86 18120137.79 19985914.24 21704842.47 24960490.43 29724483.72 56160567.83 Canrenone 1061348261 709701686.7 399197949.9 806389825.9 579464294 383590607.6 479381785.2 172135390.5 200414098.9 250024359.3 395309686.1 150421192.8 440539596 70176575.84 870194364.4 250801469.9 110910951.4 88323772 Hippuric acid 20672520.57 22999400.57 13573180.34 10533303.3 19926908 6149791.66 9868378.15 34305942.7 14344856.61 16916965.23 13312970.15 13477484.4 124824074.2 185537897.7 206700374.1 14202643.01 22176215.89 21188666.33 4-Methylvaleric Acid 61102960.72 135737969.4 55699385.82 125878303 258985461.9 43112733.47 70518764.41 208384535.1 55341659.12 155694298.8 133556552.9 98624265.97 87844183.19 67434303.33 145275938.9 115874594.5 237083005.9 244862074 Adenosine 5'-Diphosphate 331457450.7 387925057.6 324551102.7 266780719.8 357504985.2 322138046.8 327817862.4 243418075.6 323864081.3 313082788.2 319197167.4 245675007.2 251364987.6 73832326.11 278893612.9 270813866.2 318674001.4 290105937.6 p-Coumaraldehyde 10047337.59 8723649.37 4837069.09 6176433.62 8157907.08 6803172.45 12701406.62 21116999.37 10605589.85 12136858.38 15272592.11 11033918.69 534859.35 9802061.57 15295047.03 5268811.62 31528173.52 15118620.49 Pimelic acid 13938047.19 10096988.8 6419278.16 27100706.27 48142174.31 16326956.47 20131544.07 16061035.56 10249971.14 23831079.25 37369581 19951725.61 31659880.24 26333682.94 21591625.96 21997209.91 35216881.5 20309958.3 2-Methyl-4-pentenoic acid 11306187.36 14549298.92 9636468.27 16718105.05 27616578.79 6715324.71 5306258.07 24069060.77 17297649.09 20303588.51 16685442.28 15527269.07 10421357.56 13717734.03 16662859.65 18557915.66 27174155.13 25694778.74 2-Methylheptanoic acid 136322766.8 99219284.87 140309148.7 166158106.2 277271398.3 258553448.7 250817245.9 169491528.3 260057651.8 268521874.5 166087437.9 279169657.4 276039212.1 285924296.3 288200836.4 276550942.6 297412891.7 287732468.9 Erythrose 78421954.1 80726175.6 81923004.04 56300566.47 46334362.92 112481310.2 45846085.06 36188495.59 72976108.18 90049838.87 46812152.35 30737345.09 35490243.1 38683135.89 35521260.71 42482866.83 29029805.18 182664258.8 Hydroxyoctanoic acid 8707249.2 9271832.16 8713548.12 14390969.28 15506498.19 11857779.01 12544731.44 12438191.52 9574688.74 17491744.12 11975582.31 14828907.74 16152608.43 17572197.32 14079474.4 17188183.99 17561676.85 13689236.04 Pyridoxal phosphate 23368997.49 40279989.53 38818305.17 26677936.4 50632794.95 28314188.2 35177891.35 49637031.96 45569931.89 42733282.73 44962426.03 42602860.79 42934238.02 36746512.47 40572544.85 44680207.84 44955402.17 45587190.26 3,4-Dimethylbenzoic acid 42977505.36 35147925.38 39137616.41 39377171.57 47812156.75 45828984.19 35570470.26 100966767.6 34445051.28 38115701.79 38244931.44 37996592.05 89411596.95 34520391.42 28473872.77 33631364.87 34104388.89 39753809.33 2-Methylhexanoic acid 49894216.27 90946939.37 43057180.19 90937831.67 162755702 25248160.25 51601853.98 22633137.78 44660366.56 116924207.2 107591115.5 77092807.34 17759906.14 62175756.19 19834207.62 94942204.54 150723903.9 33511920.01 L-Alanine 48071695.52 45024622.62 42535446.65 31599790.24 46522251.71 25716184.02 30145136.08 105333620 29395484.13 37667207.26 26478857.25 34810296.68 98516072.61 129942220.5 136404086.1 43881336.07 53876738 632520951.5 3-Methylcrotonyl Glycine 72373525.31 72517955.46 39377861.93 175822885 338720847.7 83841846.52 32947279.26 96723981.55 42283111.12 276599101.4 226250155.1 195613904.4 337101511.4 448253874.7 490835328.3 245116881.9 431098502 394940255.9 N-Acetylleucine 7842678.13 7476860.22 5119803.16 7976774.93 11890952.79 4275962.09 5543255.03 12342298.31 5524538.9 9219304.1 7270309.14 13722144.98 19897774.24 38679645.9 29217809.93 9415862.88 10310831.39 8547772.49 N-Methyltryptamine 42867580.74 35418016.11 18649211.86 29967397.86 32232676 19357837.53 35159161.36 45984904.71 18854976.44 39328613.97 33707857.6 26649413.58 66356415.53 40692398.47 41941163.14 29544372.85 31424451.48 20263815.92 Levulinic acid 1611433058 1210258844 786359559.7 568762557.6 1520545409 254937879.2 605606254 1593011678 456897537.5 937615688.3 751337779.9 316509246.6 2751269863 2390908671 2693054952 722192204.7 1002205780 682937824.4 Sarcosine 54329179.16 54809161.19 35281982.74 22092906.37 37624613.66 20615092.27 42101288.45 54950157.38 40728875.46 37936242.52 34827444.48 34000841.15 79478512.65 103336402.2 105717653.4 43374138.02 35076855.67 21105765.45 Undecylenic acid 27327219.97 43399819.83 20548744.28 47162199.63 89047892.71 14782545.44 46684707.63 66642502.08 30194225.31 64396637.45 26564903.49 39629940.51 52690487.25 23222439.13 19460452.03 64652392.69 65367938.68 39739453.25 L-Histidine 8270425.56 28308717.19 5338227.24 5394703.92 4448953.37 2388510.07 5189633.47 4693206.01 8655690.06 5658984.98 7722203 7134802.43 37640836.44 24187147.02 16836232.62 8353396.07 4161968.32 5844328.25 Norvaline 16443669.63 22874582.82 22748811.98 8894489.37 28846895.27 6193350.35 23501122.86 37188657.1 9627386.3 40512778.99 19646486.67 19143705.31 113836395.2 145272412.1 147049888.2 27565625.82 37590686.82 36539452.02 Succinic acid 36530526.42 44859585.63 31153432.97 71477965.33 32934154.91 58561756.68 85466995.18 55866271.9 78435468.15 42701732.45 37220464.48 96069268.23 275658009.1 87499266.3 108509652.7 88508883.61 53100361.71 45275129.11 4-(2-Hydroxyethyl)-1-piperazine ethanesulfonic acid 266484856.2 218574932.1 198280604.2 110035457.7 137882232.3 152975887.8 201730496.5 187869019.7 224991027.2 163716029.2 175952608.4 153410133.8 739546652.4 915399425.2 860839877.3 180162928.6 146293603.4 166886858.2 Gamma-CEHC 10406075.75 12572615.56 10372377.18 8070635 5293964.17 13741770.74 6644064.64 12530878.48 12850638.78 26300428.21 11334091.52 22870292.62 17143454.15 17407273.17 19715722.35 14902783.27 16710212.2 18944850.34 4-Propylphenol 16779038.25 13118687.99 9075784.18 17558067.13 22250293.77 11749577.41 12067306 22843676.3 8966666.12 21497229.94 23513016.71 23971107.64 16595471.66 24181915.71 20878155.29 15336488.2 31041740.99 20826447.85 Hydrocinnamic acid 281327155.5 258167105.9 195384169.7 425399161.9 531839388.1 296608365.3 204371289.4 368279919.5 187065492.4 442035307.8 455075730.8 425694498.7 292065044.9 310100516 295624645.5 481767668.7 511198500.8 480570151.7 Pogostone 8768557.07 12734207.34 9783992.82 13765104.67 19849510.61 4603432.94 9881556.91 17230534.58 8548148.97 15209108.61 10757328.62 12425059 13620750.82 13015348.19 11340057.51 15374664.62 15971576.39 15343921.07 2-Oxovaleric acid 382781963.8 346966453.8 320566839.9 189836529.4 282309435 233729146.4 299810410.4 310444501.4 131714874.7 152655137.5 130430717.7 337003699.8 519905180.3 945938587 905391025.5 228220537.7 155768783.2 383145137.6 Trolox 19569433.28 21459348.21 13336950.17 21045976.01 32169672.85 13548457.68 32081544.07 64408060.35 24585315.89 44266853.32 51377947.13 21642836.25 13204145.04 20341202.92 43538884.45 16462783.73 93335564.76 55172990.29 Glutamine 83289760.8 68874646.55 41742541.97 57515820.15 75966055.64 100565320.9 54603662.1 50408908.93 43591294.27 90253817.94 93026645.19 76845356.01 59563900.85 63418212.05 71185930.5 84042956.8 82255424.51 76240595.07 4-Hydroxycyclohexylcarboxylic acid 45188068.96 24869972.8 38750646.45 36761538.33 57334130.69 25354186.02 28377694.58 59695810.66 41137056.61 34557688.46 55155461.79 45521936.26 51010848.87 43806643.64 30165554.34 35323472.65 44483293.99 14283182.31 Fructose 326635118.4 252211618.4 207969959.1 117049151.3 137130366.7 181086842.2 240476990.9 194533808.5 270785764.1 171449778 163895029.5 134974252.8 971418768.3 1093945361 1098327536 157923241.9 138806649.7 143372812 Methoxyacetic acid 27634442.2 28955162.99 28163022.81 22147377.26 28843984.18 23285530.81 26605927.76 40845216.23 34681885.28 26440581.36 23654514.89 19853017.06 71955988.16 133778717.5 72083554.5 29042293.8 33400699.01 25566725.29 Isodeoxycholic acid 886645.41 11004024.08 377075.59 18724627.47 43220513.26 13225940.67 657461.99 38838195 503977.6 35693738.18 20908886.8 31535741.46 1496716.81 29777448.75 98127338.97 41085204.75 84460766.54 71512054.86 urolithin B 18975201.73 24105940.97 19166921.47 25034490.97 31079173.84 25068252.76 20527156.03 29557569.05 20371959.09 34471854.83 26807607.15 33399028.12 26857390.29 33194842.01 29120480.14 41914017.06 37905409.77 37663203.99 14,15-Leukotriene C4(ExC4) 6800558.59 11367783.84 5910550.22 5712114.68 6767250.41 9033794 4697911.13 4004783.63 9069794.89 5395077.2 9433567.16 11025414.76 10227253.66 12726740.18 12431856.96 15919076.42 11274503.93 15125782.76 Sclareol 1379106.97 660619.96 535154.61 1376011.02 11051708.44 8635952.49 678138.47 11006160.06 2175672.65 3274681.52 1478070.76 7015008.34 6078397 31069699.31 8559569.46 5971304.39 19235534.79 14027684.53 Dibutyl phthalate 20381174.06 20465417.01 17879381.74 15983292.82 40424810.53 11251669.08 15267072.67 30388063.62 16203573.83 22638383.47 19229277.1 18961809.75 40141731.8 45700857.26 51916289.59 19206363.9 23168887.61 26034664.44 (r)-3-Amino-4-methylpentanoic acid 146752056 27218114.09 17080044.21 17621378.53 17909812.48 3043411.35 18857551.97 25420983.81 18431073.55 21658394.3 44779807.36 27690271.46 31448702 16810413.2 34090898.63 108138299.5 74605093.63 20769408.78 Orotidylic acid 204673249.7 254849136.5 247804691.5 126155855.8 144041932 201493465.4 257339862.2 157098348.4 253547213.1 187797148.7 222188484.3 180060166.6 120646976.7 102177784.3 166620457.4 196488755.1 163725648.5 138955317.2 Isopentenyladenine 13039184.17 12888274.36 6496976.45 5266032.62 16499911.13 5229968.19 9964307.84 21008292.15 8464235.02 18112632.09 7276364.6 13662679.59 32405303.02 36198525.84 33730857.6 14565679.92 14302557.95 16004698.04 Palmitoylethanolamide 12540247.07 5171367.57 4029652.99 10856255.84 24915831.01 8085746.14 8581209.38 2215902.17 3595333.59 12250056.61 9686028.87 9330733.35 9057659.46 580146.09 4856870.09 13123573.96 10935987.59 565191.05 N-Acetylglucosamine 1-Phosphate 168783.95 529489.28 841416.59 134321.07 2738685.72 84801.97 80330.54 19556542.15 999339.82 1585715.95 870365.32 1015456.55 1201568.59 29888353.51 1216817.36 231584.51 5085956.36 6162440.68 O-acetyl-L-serine 108605441.2 107654170.5 97155685.28 84623583.98 125185136.8 74836119.43 110228298.8 140254771.5 82453254.99 120071654.2 122725711.5 115550097.9 144341515.8 150256148.3 151217841.2 130077908.9 128202018.9 129076575.1 N-Acetyl-Neuraminic Acid 157.93 157.93 157.93 157.93 1005.7 157.93 157.93 242253.78 157.93 158.01 157.93 789.64 904.38 533415.91 1770.65 157.93 157.93 3968.63 Uric acid 40987341.06 27550066.1 21251114.15 34471363.33 38165763.04 17944541.66 23564032.52 21626510.29 18745079.16 17812388.81 19646198.96 35406019.75 34750337.85 23901510.87 21837905.49 18393333.03 21621597.31 28460472.18 Theophylline 21816761.91 14182058.22 14840153.73 10165891.62 8958320.09 10084782.96 7286511.83 6061255.06 20086366.5 14213364.65 84169947.48 7352050.82 23268231.79 22188677.45 21218149.59 11765193.57 9748765.65 31097827.56 Pentitol 65906301.78 63341376.46 63848228.21 65085734.94 48432110.36 82639109.09 62505338.08 50221572.76 68111052.49 53129931.01 58253152.75 56705682.37 53533291 44467911.05 237038755.4 56373231.45 46049854.72 46576971.69 Xylitol 34408332.42 29877774.69 32206881.36 36204889.81 26705192.56 37419063.58 33037209.44 28016609 32373182.39 31768184.17 29597444.46 36451892.75 32410291.25 21689897.66 27378567.77 31177538.09 28925445.99 30332514.77 2,3-dinor-8-iso Prostaglandin F2α 12199036.89 17607417.01 24203414.96 91404579.96 152846932 118690503.8 22515943.11 19658492.23 19889043.6 134819637.8 106204126.2 45563472.57 52399664.65 29256748.16 15452865.53 70029387.23 96765465.62 18738484.97 Docosahexaenoic acid 21659846.87 33568845.66 8582347.93 77383305.36 143860519 81062603.21 19122942.77 113051990.9 17165194.44 102172695.6 57402049.52 117516392 48063567.85 511541357.2 128268850.9 101053963 157507341.6 174054670.7 3-(Methylthio)propionic acid 8090931.25 9222725.59 8098833.24 11146892.29 12756297.14 8496531.59 8109261.86 11455553.87 8084928.35 12810781.05 9538143.22 10279193.5 11810803.57 12793093.99 10960820.96 10320840.01 14856072.6 15298837.94 N-Isovaleroylglycine 14650289.39 9153500.43 3590960.3 9240953.52 12928400.59 11400278.28 14849491.43 22101177.72 14497077.33 18077345.96 11370109.05 20311500.63 24434269.86 72359456.52 14639657.85 1554223.27 19425708.14 25828326.25 prostaglandin B1 4299844.95 6887264.97 3073962.76 15267531.36 8125136.29 8716449.15 2372715.13 4057673.13 3617728.97 18527766.54 8228644.07 9956178.99 3762342.31 2654829.36 2650942.21 9871311.09 5833135.1 6674532.33 Oxypurinol 20317226.72 21283517.53 29437757.03 20212762.41 14076679.57 19413948.7 24353605.48 22899661.75 32175076.23 20357509.46 19649002.3 16175389.54 58563754.47 45458727.58 52424505.04 18796624.21 19625544.64 12409175.8 Adenosine-5'-triphosphate 108631698.8 84403237.45 81044797.24 91370198.54 25410471.6 70678588.69 107106707.6 32681425.61 104311889.4 53176523.7 83296002.07 74927513.1 71206569.27 18828892.01 39170659.02 51733496.19 30894076.16 23346566.57 Tiglic acid 23841790.34 24803261.73 35558147.04 26507680.66 56591888.4 24217256.29 26677639.29 29578655.75 24024479.21 30149438.1 26229390.67 26898862.18 31110510.46 25348585.02 26436602.31 49599602.57 39508672.52 41221884.28 PGF3α 4061225.74 4371690.66 509188.68 174530 1112980.03 326322.1 2380603.1 2097413.03 1896250.05 1635753.98 1121440.81 1013974.41 4577899.43 2657502.77 5171817.9 698636.75 383367.85 1179005.63 2,4-Di-tert-butylphenol 15530360.86 16700273.89 16745415.15 17824619.45 26309450.56 19223908.28 19392201.78 18978355.95 18548543.52 24229401.76 19276994.06 24058297.12 31533591.96 31479992.39 16219315.95 26552138.25 35377427.67 32231041.57 Methionine 46741708.38 50083664.49 26827078.46 28049724.03 55178004.78 16732148.53 31009572.08 60028378.77 24736838.02 56165137.63 48863093.56 42053584.9 122459665.9 154172990.1 161586563.3 56628243.68 67047142.65 58133997.63 Isovaleric acid 32408772.07 32800510.52 24021744.44 18305349.07 33178047.83 8464459.14 22955783.75 40991797.56 25782109.47 34254797.65 23010185.01 25142631.63 93868587.12 93055014.15 103526037.6 48242936.38 30567866.23 36178041.03 Succinylacetone 7808961.03 23583943.44 12441296.75 15807718.97 34938974.04 8386149.76 17359706.48 32619088.25 12084993.32 26730594.97 29828060.4 10814681.52 10705304.68 10598385.78 23518587.27 24818765.19 37546578.14 43574080.94 Cytidine-5'-triphosphate 16262939.45 14551639.52 17001224.12 11310609.2 5178715.37 19095638.8 33933014.68 6983697.43 14362701.49 8310505.18 12836716.15 14686377.15 11467380.75 1949307.62 5515247.98 16265969.16 8512100.49 9763011.16 Biotin 61199892.97 49520623.02 54167547.33 51319850.77 50813026.63 48815719.03 45572375.61 48727538.03 49892197.13 45967682.93 47513439.56 44247225.12 43170605.43 41566041.3 43002204.27 57340659.24 50002340.95 49689427.63 prostaglandin B2 8685616.74 9230233.72 3375139.51 5432999.78 5370090.73 3072606.92 3244491.1 7666784.01 2451217.99 3577036.45 3842667.41 5744617.77 2609310.85 7098574.45 12635700.36 4676810.25 6329949 6067935.86 Xylose 59998511.92 57678378.75 39504363.26 11207253.57 31102259.15 6318484.46 48185548.37 40307938.89 36916384.28 25439107 42887099.19 33558336.2 33275842.01 33890046.53 26987020.05 37626597.65 25231326.58 21722427.14 D-Glucose 6-Phosphate 5974631.13 4373946.1 4775395.27 10523680.95 9238764.16 1423366.72 5331540.94 16538969.94 3894605.91 10905422.96 5321178.62 5977415.52 7715004.42 18480014.15 7357365.32 7595693.83 24490668.61 11248088.79 Caprylic acid 27715101.69 50251159.06 35416969.5 70401531.67 60856261.81 22976245.24 41492212.74 76631218.17 96678782.52 188546229.7 70261940.03 45808159.27 44494297.94 51268813.4 52551882.66 71743349.91 80893591.88 78649859.09 5,6-Dimethylbenzimidazole 15772030.09 7443423.65 9727895.69 22533680.82 20296990.22 13973400.43 29235112.32 14112819.41 6580454.23 19885554.84 18914460.38 16771929.3 18742021.21 30390055.57 6972663.3 15479098.62 39602592.46 19940980.69 Mannose 122151926.1 91394784.79 96494470.25 135729723.7 78257297.7 118873715.1 96725276.23 70632903.93 164236917.1 144190174.2 77869556.84 56220015.07 123650360.8 136138899.3 138085246.7 63067158.91 51222641.33 251250732.7 α-Ketoglutaric Acid (α-KG) 27927745.73 27590121.44 27425151.36 27116189.08 25621730.82 25307499.16 27339756.02 24560483.28 26066468.97 26325438.03 24477170.65 25454066.15 24029917.85 25012488.22 26904738.9 25409528.38 23191709.07 24630537.49 (±)13-HpODE 12711566.65 13986636.65 8624705.36 17155970.31 40311801.31 24663639.69 8638580.16 12128275.31 5251948.68 13896370.77 19501719.43 32110589.14 18468665.53 5732061.36 13366822.67 16329022.83 27512850.64 7906206.08 Deoxycytidine diphosphate 901233110.5 848421009.3 883196421.2 856305667.3 808457981 907605376 883184166.9 782340815.7 870844538.2 786639638 751359063.2 730574023.5 733619064.7 713897665.4 690457167.5 748800607.7 735016742.9 713452832 D-Allose 16316174.07 6744027.29 8893258.85 9885148.72 17616963.72 3287726.17 7685949.85 29065469.18 6615928.85 16788480.55 9080209.77 8813089.06 22457820.21 24001405.46 38865401.96 8117433.2 6816655.73 13996666.5 L-Allothreonine 9089094.23 10551505.6 4046050.22 2637100.08 7432390.97 2603939.05 3302030.06 4484040.18 2696575.13 2445774.7 3529381.23 3572456.46 4309653.45 4338255.76 9112669.59 3371772.46 3787664.25 2041134.42 N-(2-Furoyl)glycine 43445920.22 37596398.53 27760867.97 22700296.3 40975293.3 28765502.73 36158239.63 36110623.89 18433957.89 35800819.08 35391150.29 30640333.84 34872055.07 36506923.65 29962531.56 38690615.35 36295741.75 32638180.04 3-Hydroxymethylglutaric acid 68645804.45 34584398.12 41694449.17 18084178.83 32025770.08 33698452.41 20989154.6 21803740.94 16439299.58 22601277.32 29000164.4 26319616.89 48144318.43 61818959.64 56249737.03 42760281.81 15016363.56 9524687.23 2-Heptyl-4-hydroxyquinoline n-oxide 19318572.97 15838177.16 6492536.35 10904577.95 18987328.2 3005630.47 5078456.26 18974400.47 2948501.32 12212122.58 15965418.14 9082690.48 17464516.13 72442804.35 33444393.37 19318316.23 26010024.92 13059420.1 5-oxoETE 31495718.6 20924304.28 28533899.1 14841641.77 18600172.79 13043167.86 11877575.02 32774259.73 12891241.39 11463558.08 26693367.11 38780688.33 19904828.75 19697529.72 38272353.94 34468765.06 19856117.33 10532371.18 L-Homoserine 14044135.68 11859927.61 10998487.09 9222088.68 16302768.72 9522646.42 7373429.96 13865995.51 7536464.43 13226774.77 12189086.1 10578995.35 12445167.86 16870410.88 22011585.82 13553892.79 11462600.36 30098857.53 3-Hydroxyphenylacetic acid 19419082.18 21048115.55 13837026.74 22731835.81 26942491.27 6204321.94 10144724.64 36285036.94 9547347.75 19975583.96 16034963.81 14432421.73 61526515.33 57509587.87 65443850.36 13375221.93 32157577.07 23485574.93 Cyclohexanecarboxylic acid 16347253.84 27484149.5 27741216.31 20080927.16 34032897.46 32692936.6 15319813.8 28766485.47 36112295.4 48620808.44 26120597.18 27198381.86 36315147.8 35161539.83 30686320.54 27349198.99 47181029.51 28404108.21 2-Aminoethyl dihydrogen phosphate 326986089.6 310095863.1 345207505.9 309863141.8 243446233.1 386710002 343929050.2 220374210.1 364131220.7 268409168.7 291758201.2 300348137.1 285614648.3 248476504.3 257852468.4 335763852.3 233079146.4 236142321.1 p-Coumaryl alcohol 37009487.98 43689406.69 31390631.76 42151419.72 61580533.34 24835629.54 33356786.27 58906976.47 28026238.66 46756927.33 46040662.38 44307886.37 50383660 50725359.62 46660289.12 47755503.45 57094911.9 66853591.62 Butyric acid 169088785.1 61865693.95 53068126.31 40349745.48 40305657.94 58336356.82 77949786.83 100248365.7 58508205.42 43864450.02 52786427.47 71370268.36 63045526.11 62443062.5 120807992.8 27956994.3 120559206.2 67700979.88 Phenyl acetate 26379315.15 24031145.06 79060549.59 29228953.43 25739592.25 25371013.62 17936666.48 25851549.81 23200140.19 110790277 23684982.01 28052661.64 30653923.65 32781567.99 29775036.53 37097555.22 24088991.06 30924260.85 Zeranol 5687708.78 7547270.64 3692139.61 6639414.96 3438716.59 6726555.42 7343136.52 10124564.76 3504082.64 2239183.3 2896225.09 4539992.34 4918550.46 5984636.34 13836051.57 12945328.24 4268532.23 4886966.19 Erucic acid 22125179.67 11700047.52 11484524.7 9008715.85 7029757.7 20382890.28 13499151.22 7031815.2 29292260.95 14207385.74 9910928.15 10753057.5 9234689.74 12331781.11 44571814.99 15145931.18 10214954.18 19105124.22 Tretinoin 6713085.31 10004416.34 3630881.87 3115658.76 7281711.98 8504742.45 3009811.66 2951095.02 5808681.79 4842740.05 3222632.19 6862129.17 7693178.61 5693692.36 4014271.71 4627064.81 5789704.27 4631217.88 trans-trans-Muconic acid 68431061.78 133408839.9 108345247.6 85795666.56 182983793.2 87419415 177930875 217639764.9 98951951 568095514.1 116366955 146639076.9 664064984.7 666783780.6 656944474.5 123263871.7 242960899.6 204593571.1 Rosmarinic acid 3215974.86 3341161.32 2278113.25 1400121.37 2204624.14 310558.95 1377515.07 5552283.32 3450426.15 1547828.17 1367342.75 1251038.66 20223811.17 26740287.97 20613737.87 1727748.97 2246684.32 1740035.1 Phthalic acid 61293613.45 51555183.32 39105429.18 68083016.12 43172661.64 171190161.8 147179921.7 76106789.26 42203270.63 41243700.66 93739740.16 49716284.68 39103651.75 65003208.6 29628229.19 29972916.83 78356809.42 33828770.04 Glutaric acid 6655412.69 6576020.58 4207274.88 6146844.57 4859889.58 4882558.8 6766581.6 6230773.12 5384365.39 6239065.85 3746177.81 4730287.04 5998215.42 7512308.02 7158380 3584405.82 6113910.41 2134350.34 L-Gulose 642330312.6 515166582.8 466508486.1 628095301 679963565.4 298984844.9 372142134.9 504223629.2 325976210 423185609.8 389907633.9 622988989.7 772232058.6 485302288.2 510803572.8 403040392.4 520729892.7 588270418.4 Acetaminophen glucuronide 2936397.26 2985732.82 1411965.06 1959336.74 3361140.65 1383380.04 2672652.67 3478816.5 1017672.75 5098426.69 4895394.77 4226143.62 10200478.09 14203683.69 14118395.44 6821471.58 6018770.73 7001220.26 alpha-Ketoisovaleric acid 69056675.06 78586099.37 69224748.01 38257975.79 42882259.9 85573728.29 45247821.72 58313342.17 92156549.36 48257590.55 66700872.01 59157041.79 90755088.07 126293258.8 142973900.9 70611502.35 70512012.36 66588616.44 Bovinic acid 7089572.92 6375681.8 5962297.25 5652479.63 7583868.99 5033621.61 4702135.19 6743737.36 4162611.8 6076296.67 6108493.04 5167144.17 10842997.58 2190806.81 5366516.39 3978636.97 4716149.53 4698557.77 ADP-ribose 68663074.88 77701265.25 49600657.69 54472948.03 109602053.7 43278663.8 55773827.93 94920854.05 46652525.88 90023760.72 91525200.69 82908927.73 89398918.04 86269592.78 96142454.73 94066563.44 107843264 86368421.1 2-Aminoethylphosphonate 1164202.05 1685151.02 294218.5 1520157.6 486527 1811395.65 4368419.2 4890752.58 1701241.53 3106315.85 2457279.93 1922410.22 3128749.03 1232601.41 3934273.59 2403844.53 2854692.91 1195655.99 6-Phosphogluconic acid 573445283.2 567614493.6 587883196.8 575297502.1 514215954.8 582780205.2 598214528.5 503248150.6 583175626.4 522953071.2 493117677.8 492018471.9 474587614.5 445274850.9 427915009.3 491438835.9 469926840.5 452822949.3 (±)9-HpODE 58085460.91 63868199.34 8573295.9 24311918.15 61255887.19 35623632.95 10677266.16 75421930.91 3539133.8 22741771.87 20416743.47 14479216.94 17721322.41 11583682.11 16555525.73 13319796.45 55534772.64 10655717.71 (R)-dihydrolipoic acid 33647847.18 37695686.77 38238230.35 45004960.79 45315746.29 30715133.73 41891321.07 41514840.72 41841032.61 48410349.74 38754391.92 43643868.22 46894654.05 42558105.48 42448410.77 43289538.99 88082817.68 95151819.28 Oxoadipic acid 2348568.5 1792868.65 1862375.99 1991651.2 2841688.92 1857018 1529467.54 41659662.25 1389495.78 851990.3 124641.43 195428.83 6743942.91 17334718.69 2736769.2 2100013.3 6035375.28 6106822.66 gamma-Linolenic Acid 14407112.97 12723595.4 10293608.75 13999237.4 15859201.54 16341255.27 8692887.71 26077854.59 13749898.6 18944828.91 12429829.95 18077389.34 16933932.39 57599342.11 21029858.05 16248912.52 24692744.71 20943778.22 Purine 33846957.9 18878351.27 14320655.8 21395487.75 25777683.72 9078537.79 14307063.61 24276979.47 11661184.51 10317645.9 11963177.81 25806939.95 24279193.87 25570262.5 15211022.89 12001960.79 28319392.15 29277917.63 Betaine 49836103.15 43911788.3 37982321.05 22914459.88 32877197.33 17018545.47 20313192.44 36638632.55 29541759.57 48109117.8 43000060.02 37155271.48 466055104.4 130975613.5 104501323.7 50836318.78 73698555.73 26943927.72 Pyridine-3,4-dicarboxylic acid 29188355.99 21553958.37 18727541.19 21766467.36 38898378.41 18213851.86 25764443.19 29907978.65 19534168.99 33791188.28 25526096.8 26958318.74 24424940.94 31271498.92 29102561.35 39211086.24 33692853.22 35536100.55 p-Toluenesulfonic acid 945498.66 1645775.15 5468274.33 7479454.12 1931651.07 1751560.12 2739411 4244173.06 3275339.61 9344137.67 4457455.62 9062887.71 5851050.62 9140732.14 16429252.42 5262990.13 2844963.48 5008335.9 3-Methylxanthine 1007761525 833945893.1 739204224.6 1018798563 1106653294 481369988.3 612772254.2 803198932.1 517444993.1 719662099 636813832.1 1062804563 1301797166 767817743.6 853882309.2 641607818.5 827346206.8 956475685.2 3,4-Dihydroxybenzeneacetic acid 13311539.17 11046738.78 9321116.54 16219205.77 21173072.74 3835224.54 6824401.32 14128069.42 4641276.94 11130596.63 6847790.63 12055966.28 17479067.64 10712177.7 15497318.73 9292464.41 17871543.85 21439664.9 Cyclamic acid 2914396.27 3444980.08 6724485.67 7287958.61 4533423.24 6066515.54 3888039.89 2011851.67 5285780.96 5300501.21 5653871.99 2220567.56 5868812.89 4296002.77 6772717.28 10413803.49 2892289.69 33379609.11 L-3-Phenyllactic acid 77471797.87 66626325.26 33375416.15 42319658.92 79963772.86 30808906.56 39830039.39 80016654.7 44506090.43 65906250.16 44884742.43 49820341.95 157319042 183439810.5 197940925.1 60855669.17 76645280.48 53186969.16 Hydrocortisone 39543100.63 21509893.62 18543639.38 24312024.86 50519277.93 20608923.63 21654361.7 27200352.28 11403039.65 12488370.23 8210297.7 21926470.93 9966375 9593102.15 51965353.18 9675004.91 12410441.76 10510483.39 Diphenylamine 19399599.08 13791267.31 21611793.03 31143342.58 34077565.55 17039084.96 11863708.84 28844344.25 11620277.39 42806237.39 22069088.66 34991378.75 26303148.22 9520727.52 10315447.58 37866792.21 40716914.63 33303357.63 L-Ascorbyl 6-palmitate 2912680.15 7306171.57 343872.43 12526023.11 69857825.72 6126130.33 439711.73 25653837.16 1773844.23 30189666.07 11667491.83 17375091.2 3033944.61 15408017.92 71266567.86 22160662.19 65717066.61 52396936.15 2-Hydroxyethanesulfonic acid 22854757.31 20106746.47 28524561.29 13034542.66 9767916.53 12055497.22 17941716.44 29432783.36 24110243.22 14327579 8906599.75 3964155.59 55573735.83 64588787.37 55482271.47 12547858.83 19303189.93 18556502.8 1,3-Dimethyluric acid 100178147.7 147087866.4 142184420.1 49758072.06 15924709.99 240442267.2 125006352.3 13374992.81 93656560.46 45124306.95 13050190.68 22077341.43 29773179.01 38221399.04 50915620.12 25400845.17 9595637.84 7235673.03 3,4-Dihydroxyhydrocinnamic acid 13825641.53 13085214.82 10705470.48 16911707.92 26075265.14 13615427.88 14242129.26 21220647.01 11474196.81 24007261.66 44042729.3 24139019.6 23486510.9 24970690.05 24942694.28 27648533.32 24113071.98 17861559.68 Suberylglycine 78692680.1 75281144.11 88499241.45 93474370.19 66275756.54 100162487.1 80007002.6 71201297.84 104111083.6 75575874.72 76186148.14 88816435.77 60912447.88 44054430.66 46357918.72 117540637.6 73721223.88 62140493.69 Acetylsalicylic acid 6944237068 5950693315 6308123619 7612191095 6196359244 5104208356 5852614736 6204668796 5446526799 5926503884 5407305338 6268558526 7153038648 6194595339 6351248842 5357017294 6124824771 6356301042 Isokaurenoic acid 6357072.98 23794659.63 60542917.01 17249767.3 24405032.39 21267086.13 7085933.31 32660759.75 17233293.54 30685990.69 109161788.5 15841210.12 22104798.9 128019891.7 19211156.55 17838442.38 38735399.81 28347059.85 Pyrocatechol 30980395.27 28943723.82 28887898.14 38331181.72 30943575.69 23755851.14 29163395.79 30043839.1 25720833.18 27227062.87 25179042.84 29615899.41 32973697.51 28987353.55 31966033.75 26704082.68 30528998.52 31448845.5 2-Amino-3-phosphonopropionic acid 165512779 162558792.6 184173655 161218808.5 159563869.6 175394103.4 156871046.6 149002475.4 176448265.9 141575240.3 151815929 154576085.6 166535260.2 147479612.1 162902804.9 146243630.1 141433776.5 157414872.9 7-Methylxanthine 147048135.5 121366549.5 103869060.6 165056599.4 166937324.8 155969812.5 99335238.05 98458679.4 233022604.4 97561713.03 92995265.64 150820670.6 196443217.6 124120699.2 111122129.4 88258244.84 116689739 146092290.3 Terephthalic acid 15567019.82 13161755.65 17170640.42 11596817.23 13520164.99 11879952.33 9935984.11 3027663.59 2088013.72 13426274.05 14162840.2 13784386.51 3269731.3 11825700.95 16694623.97 15555203.75 14547715.48 19006131.11 Metronidazole 41643122.8 60922862.84 42303199.28 67438892.19 103568374.3 40731082.04 78265112.99 75247610.7 39050672.72 80749373.89 76708821.02 49460869.8 46334693.49 113065464 69662150.45 63641441.38 92680959.88 105938180.9 Quininae 11224670.82 11782071.73 10736542.23 9559578.56 14481647.82 8657689.8 15234885.63 18928591.2 12804366.68 12739967.47 13307672.85 12098709.62 14100446.96 10950668.8 15952862.01 11500239.8 12152856.62 10558731.7 2-Aminobenzimidazole 42073507.61 36831641.83 22251418.97 27782740.6 30451376.54 29486702.47 54357548 78141171.97 40779142.33 48917817.18 60973468.16 49139917.93 34347170.57 37190920.46 62577876.6 21972134.25 120936461.2 58890271.34 3-Hydroxyisovaleric acid 89074112.33 245036184 107198450.9 46670775.56 106954374.9 30436063.49 143184615.4 172293761.8 43964638.71 81179305.55 121422919.5 145798307.9 61904114.71 78102987.4 50510019.84 67179680.42 139182859.5 113957744.3 Panthenol 21469495.86 25159699.72 23798197.7 23892760.43 26279828.42 24564502.35 21020044.45 22104947.16 20766874.82 23416235.98 22903319.1 21718641.32 19916353.18 19458241.88 23041453.14 23288860.41 23168651.16 22162328.19 N-Palmitoylglycine 6444021.57 5923368.58 5944720.03 6946307.94 9756846.92 5203187.99 5673232.73 5581217.68 4245354.49 9251749.93 7555938.14 10369890.2 8928992.41 8219635.16 8012172.73 8545797.6 8442732.95 7039318.68 1-Methylxanthine 85195829.81 64868138.52 74186990.38 86617091.1 98483341.58 91478147.3 59740214.38 65160147.21 48033038.35 70044867.02 51355707.62 95076120.68 115101938.8 61097411.15 64993916.98 51636187.05 63563354.64 83997052.55 2'-Deoxyadenosine-5'-monophosphate 5077513.94 8905479.75 6734083.46 4246322.77 3314451.5 4838509.45 10788244.83 16478752.03 2465717.27 4460569.52 15242406.8 18553632.72 5754821.03 5471865.33 4978695.84 4499817.53 3579181.42 13250160.46 Glyceric acid 175502144.8 80912448.65 85920842.15 72757894.03 74198670.87 464576432.4 92293977.12 81545148.23 126840913.9 58380928.6 18656407.3 52419947.47 106255299.7 80398901.89 96949418.49 111227640 106866860.3 110171838.3 Cytidine-5'-diphosphate 37623567.52 20240505.84 12633014.88 35021125.62 14757411.93 7114365.9 8849331.07 16852502.09 8009265.33 12368024.96 15073514.49 6761442.66 11839306.66 16605696.48 11505259.17 6879595.92 17532957.97 21682222.42 (Rs)-Mevalonic Acid 246583916.2 425308846.6 907994473 122864940.5 329743607.5 89334512.91 676167568.5 496949331.6 186380433.2 429611341.3 253744372.3 199439477.4 1179169741 1230035794 1197188918 237466252.6 243960872.8 350932034.6 s-Hexylglutathione 649911.27 719167.84 152231.07 278748.65 1043046.09 138124.31 940777.38 1225777.06 255580.41 3320147.78 3721287.45 1164668.27 233949.84 488453.85 288837.4 2537791.43 2642518.21 1588545.37 4-Hydroxyquinoline 36028141.71 10436331.4 12828577.62 8204013.36 12680022.48 8624580.96 13698051.67 7809241.56 17405297.48 4925117.39 39819143.6 4445988.53 16771828.27 14380147.7 4033716.19 6560374.37 15015397.18 7655516.69 3-(3,4,5-Trimethoxyphenyl)propanoic acid 8558900.65 9975667.45 5120000.65 5108036.34 11266005.33 2521179.28 4901127.93 12277128.39 5951004.83 9563970.79 7800954.02 7039424.01 51669335.04 66233464.52 69149151.65 9237623.71 14429555.12 12776380.03 2,4-Dihydroxypyrimidine-5-carboxylic acid 47793766.06 47135633.39 845363.71 48647349.97 11460747.14 44301184.42 45785117.1 54580666.88 45780739.42 8704788.42 55409950.46 46406880.61 43765072.28 52464053.81 49221570.27 56200437.79 48069681.83 48949956.9 FFA(12:1) 165483405.8 148828589.3 152704322.2 146979380.9 141731805.3 151436700.2 146692006.7 135185322.9 146909601 134426929.1 139858817.5 132661464.3 133606001 120680295.3 144075402.8 133412135.8 124776489.4 118751401.1 N-Methyl-D-aspartic acid 3613050.82 4222060.91 3146416.86 2778481.07 5573851.64 2910695.12 3674731.9 4115946 3522197.19 5597303.4 4926753.12 3213568.11 7396376.96 4072326.04 5857244.87 4213063.13 9690458.8 5583623.87 3-Hydroxypicolinic acid 17049200.84 36845067.99 15265488.19 20871443.79 20046654.73 11722934.76 15207979.15 26019207.5 28978819.86 39274956.93 17353213.38 9884532.57 21904317.39 33802657.7 20227266.84 35238484.32 22509545.6 27500959.6 2'-Deoxycytidine-5'-monophosphate 627238.27 358245.03 532727.94 627600.62 2058449.13 290375.11 356362.59 3025981.02 414280.47 1892647.82 1984758.38 1892237.62 1390025.63 534871.21 1188618.73 2272900.12 5516727.51 2286369.19 5,6-DHET 2056692.93 237827.34 1346735.36 281075.21 1755564.89 1786916.17 1603453.83 1279581.25 2062016.44 2085983.69 2608200.23 1828102.23 3817810.01 2957724.39 2813704.06 1989642.63 1746992.41 2244681.86 4-Hydroxyisophthalic acid 47949631.72 46156181.31 46133975.48 51965447.83 43359750.69 36332195.97 37792363.09 40097904.61 39587859.49 41764917.6 35995152.86 42909317.87 49038873.16 40456586.64 45708007.41 36307341.34 42054498.87 37985040.61 3,7-Dimethyluric acid 28791556.8 68985575.18 52909056.77 16496561.18 8623905.28 40032768.72 40300289.19 6265020.54 36390743.32 16241857.35 7499421.3 7657371.68 9686306.75 2031770.53 13239325.3 6387468.77 4247964.45 5860576.46 N-Acetyl-D-glucosamine 67006571.67 86029433.56 48769627.54 77786034.31 116732915.3 43230642.29 125034292.9 233305844.2 95928672.29 143084090.5 149493300.7 86228684.15 51685699.69 115155987 167770971.2 47558451.83 320106749.4 230779379.4 5-Methoxytryptamine 66006784.51 86196113.03 61535453.89 47372097.51 40169748.46 43498246.77 40283875.08 62353061.98 43787585.62 28116364.9 33414524.78 28388887.25 24166448.63 31479595.76 28948938.07 75847336.04 36295890.94 83189856.91 6-Methyl mercaptopurine 77821516.78 68845298.84 61201455.98 76763768.53 88690615.89 38024682.55 48493089.93 63964869.21 41621092.7 54888436.38 50939802.93 84509649.02 102689257 64084021.58 65054138.73 56027829.19 68920153.5 79682701.35 Xanthurenic acid 102562506 98074810.84 108934658.7 100083790.2 116468527.6 109380597.6 99519493.22 90776059.5 106714883.5 97833537.11 94681908.98 95319802.7 81572770.58 47197426.75 71657623.29 102791405.8 104693137.1 101769616.7 Lipoxin A4 3276737 577238.69 3051861.24 903423.65 7251841.51 577689.94 2500825.77 4460474.59 250290.74 2398684.47 1773642.13 2077916.44 5154054.4 3455592.62 17712228.56 1918094.57 10342883.39 5344819.78 N6-Succinyl Adenosine 5108196.14 4372734.16 2338176.62 2249060.31 11564727.11 1384449.58 2197401.45 8719813.01 2086044.77 6410340.68 4232833.58 6050128.33 2378142.42 2843350.14 8155955.71 3067961.87 7618503.98 9685521.81 Tetrahydrocurcumin 44755.62 44755.62 45600.3 44755.62 44755.62 44755.62 44755.62 44755.62 44755.62 44755.62 46998.24 44755.62 1580371.31 1190627.97 2436176.7 44077.24 253467.32 223686.01 Caftaric acid 86568564.88 55757205.58 91928009.81 55537915.25 51781083.23 39695649.57 58628883.4 60235869.62 65596504.35 59651304.39 48967854.08 63776774.51 131727034.7 76336569.63 71432553.68 30485005.47 39336896.95 57220536.42 trans-1,2-Cyclohexanediol 130062657.9 131766150.7 9215810.71 124427934.6 105740808.1 7238441.63 122733537.6 79932261.96 21059436.29 133027895.8 75718936.83 142109702.8 76462569.45 145598631.1 139187123.7 15809455.87 106982212.1 134621131.7 Glycocholic acid 5399156.7 8347337.81 7412378.45 909873.35 7575439.68 9203946.58 3421235.36 5275396.28 5252766.49 5573705.63 14437885.51 8940466.6 9672123.24 10986118.69 10136532.22 12283482.17 5845609 14302227.16 2,4-Diamino-6-hydroxypyrimidine 715548.59 577519.13 696405.76 1012616.47 307512.86 367278.94 591726.35 362848.58 2162917.41 2535677.55 531148.14 857684.96 826883.1 720630.93 739943.9 1460699.02 1084211.48 432188.73 Tryptamine 24844929.87 24623516.7 25835530.54 27538653.9 32738119.8 29023260.74 26103433.68 28772200.68 25363928.54 29848150.86 27211449.67 34916334.53 36431853.2 35621144.55 32212585.94 30738055.16 34801020.89 33379894.56 Verruculogen 5629911.56 4975838.74 1787838.03 8230991.36 16570692.33 6858040.66 7051367.09 13215664.01 2642356.36 12709371.2 11381263.96 9886631.14 7578265.47 33176465.96 12432090.17 9446555.03 25353437.52 9409956.49 Inosine diphosphate 3143361.27 4095169.8 1800659.33 2730388.1 4121107.07 325700.62 1006747.78 5455872.35 2657167.18 2437203.25 2731624.74 1156438.82 10919099.33 30599756.66 19442355.39 3379518.18 3206034.55 3192832.14 6-Hydroxynicotinic acid 28343935.06 36222257.56 84165810.92 40734687.66 42519022.6 52740979.53 37574208.79 29518929.84 26530807.76 129804955.4 43721885.36 68085214.4 41151690.86 36134382.38 37969913.1 71278623.56 59914865.64 59456161.87 Thymidine-5'-phosphate 7551361.47 5004026.88 18344675.6 16113568.43 2753599.71 36585906.17 24735326.88 370788.79 18749223.7 6127058.9 7035441.48 9141971.47 5216475.93 828440.68 1528798.75 6173639.7 1035032.52 1826571.9 Kynurenic acid 13629616.41 17769163.64 20277479.68 9449199.01 25738438.16 3244204.97 9396789.73 23637398 9838313.01 25087604.42 13787058.44 5109167.05 32179133.06 26787042.34 43852102.73 15090292.64 38334829.08 28286658.57 Sinapic acid 2404943.39 5483878.8 2268071.43 15965421.8 6395401.3 2198180.01 1520707.07 4999292.86 1483033.02 1929904.34 3506834.22 4011063.26 1604028.42 423646.89 4158871.6 3915342.09 1229024.34 11584396.98 Hydrocortisone acetate 850003.5 533040.42 279024.58 3845122.79 6766495.9 823564.48 262500.11 320689.89 101438.18 5183946.53 3517653.3 4147281.18 1518285.06 1324311.3 162751.74 3663069.55 5697054.68 5546053.02 1-Naphthylacetic acid 6740395.68 5921677.56 13745292.78 8986032.08 7200821.62 5791067.69 8984220.12 8466765.21 61156020.6 2658156.14 14593817.34 6754899.74 2557573.16 2945389.01 13669851.83 1295576.65 8525109.39 7224513.52 4-Guanidinobutyric acid 27929016.09 24824258.47 28333597.57 29297201.24 35886188.18 29092500.66 30141174.56 32839924.4 27867174.91 33300588.43 31747846.83 35764808.18 39392990.29 39259221.85 29658899.99 38916834.19 42486766.15 45789381.3 9-Fluorenone 74061166.09 27366561.67 75437638.49 35639585.93 31270262.54 23560930.79 18085138.32 20038708.5 61719533.24 25454196.04 19810181.8 29259061.17 48726491.28 25909634.71 13039977.87 18363469.73 9347432.95 100812909.5 11-Dehydrocorticosterone 85016021.02 69576007.45 34671214.46 66430147.27 51915570.49 29088221.39 42108881.83 29076506.55 44890405.52 65693651.52 32038592.42 34795492.19 32004224.45 23836001.83 59342249.84 145218663.9 24005186.4 79017388.51 Urocanic acid 27439866.08 27795278.47 26587774.43 28378760.9 40821190.73 27557007.05 24513204.45 32851400.41 23289069.19 35175488.51 30464133.61 32963662.16 34084236.07 33008595.72 28683919.78 41994574.45 39764287.98 42210844.08 4-Hydroxyphenylpyruvic acid 1282516465 987413467.7 2299670861 1319039196 973646876.1 922225705.5 979409672.7 1015492643 943964624.8 854948439.4 836352620.9 1011517245 1194358281 1021710195 995020450.2 881547092.5 1024499481 993948157.7 L-Tyrosyl-L-serine 7722177.67 8347083.65 5343124.53 9675487.82 17242190.7 7987528.59 7646507.38 13348887.09 5565190.34 16051529.73 15592318.25 18368369.69 9934313.92 11715421.39 13421111.31 18557871.24 14289786.77 11274761.32 6-Dimethylaminopurine 3214963.76 4727705.94 6377438.67 4366403.6 5539502.35 4980370.39 4011675.48 5936824.01 8049793.16 6283360.21 4506496.3 4539594.95 7483705.35 7304790.14 4567521.51 5957214.43 8084187.47 7216477.37 Desaminotyrosine 14705065.57 16442788.08 9482153.21 5843992.34 17363883.1 4014278.41 10240729.12 4984632.86 5228866.44 17541378.73 1940881.89 10302284.02 91133215.79 150635439.1 137759175.5 796769.85 2494146.67 11689892.95 Phenylacetic acid 7425164.17 9511604.85 6713380.29 5430480.83 7707875.54 2977383.93 6097928.82 11871187.4 10005971.91 3330797.7 1051591.89 8873603.06 15625197.75 16669315.8 20165668.77 7380761.24 27449404.9 25097036.15 Bergaptol 43327911.99 56398618.51 21475907.04 28534673.92 73624167.67 10492234.2 33013194.89 80701171.4 19770786.62 53806968.02 42904727.7 36398202.23 125307077.3 139340879.7 137099129.6 61910116.99 75497633.56 72693088.89 L-Cysteine 67922692.09 61294869.53 54378409.68 69605537.82 67252189.39 28031280.33 33123698.32 39000863.38 35166969.24 49378313.75 36111700.29 76696446.78 94320682.74 48303155.85 53073668.88 35179448.1 48245369.85 61953815.94 Tartaric acid 89973709.1 79960826.31 78179611.25 104000636.5 107290655.4 48393106.35 54943658.86 77587345.36 48853821.51 67239691.59 64024008.45 99447851.64 135424650.2 73740999.52 86226081.32 60719698.54 78226822.31 90188795.67 5-trans-PGF2alpha 1841595.72 2000022.55 1435174.59 1945491.71 1911637.26 1048022.12 3678216.53 2128769.73 1430810.45 4114463 4069699.07 3394713.17 3159171.4 3174671.05 2554335.83 3248955.57 1151904.15 1679737.4 D-Pyroglutamic acid 564111965.3 502973575.7 348328917.7 217501231.5 309055639.8 145579757.1 294628045.7 516868182.8 381941120.3 334064353.8 270234668 236473724.7 2124707885 2195226190 2587756203 301752814.3 358625464.7 391000294.8 Pentadecanoic acid 250232343.6 268100275.8 270339841.2 242196330.6 245234496.9 264707775.1 261446795.6 291099319.3 268703426.3 242416437.9 218882076.3 265398577.6 317296437.5 273015846.8 212063667 249373103.9 300468100.1 362869583.1 N-Stearoyl Taurine 60282082.47 54990436.83 92767628.14 45775844.72 63794226.98 66805727.08 37279374.44 125289772.2 16801003.21 37814282.34 145937224.4 74131266.45 81027693 58243493.16 78660257.9 55371217.33 29235832.36 96550573.86 Lactic acid 986940923 1052450798 920345707.8 843434732.1 764355171.3 717112387.8 921733074.7 1341882616 1302146199 1163090302 832372982.1 727652033.8 3605030561 4421663740 3910934216 838034708 1285331264 886499551.6 trans-Vaccenic acid 1282962915 1220212005 1018648112 2349455995 2913071268 2252235463 1216920045 1970176838 1091148310 2058507371 2127294698 1999484789 1478819875 3002544435 1653518826 2290129973 2003006308 1489344128 Penicillin g 58924123.3 59912472.54 33728498.9 140298373.3 284126488.2 68545124.87 26288858.53 85467127.88 35006254.61 240919769.5 199984892.6 163858160.7 293544916.5 380547729.2 413934279.6 218449625.4 367327466.9 328813911.1 Pyrophosphate 130742000.7 112706591.4 523602058.3 146135242.6 95636251.8 311930690.6 159851205.1 77462976.45 167970358.5 94185576.73 127501605.9 124778779.8 99918161.71 79329884.33 93335089.52 222285660.7 73030454.86 68634518.28 16-Hydroxyhexadecanoic acid 387193609.2 272792031.9 176972747.3 244384545 280979595.4 100758688.6 351387467.4 315746366.7 178368261.8 203475649 278945023 173940096.2 584614345.5 107589917.6 397189999.9 216929171.7 243049654.5 307163244.2 cis-7-Hexadecenoic acid 190010986 187505201.7 149102337.7 166991497.5 248997258.7 146315497.4 191884529.3 245034539.3 170011436.2 177602338.8 166972636.1 175524333 311265475.9 342155556.6 236029711.8 184387995.1 271786118.1 259168448.9 Cholesterol sulfate 60675837.16 70272369.69 50314568.87 35216549.32 31753707.37 36085765.09 81439310.72 25470512.23 60979355.02 43431681.51 44677919.94 48772450.42 32354878.24 23936196.51 127806781.2 49641807.31 51459240.56 21910039.9 1-Pyrroline-4-hydroxy-2-carboxylate 218750340.6 153772487 185840715.1 73825571.63 62204681.92 112395464.2 121937323.5 96620638.76 181384777.6 94301591.39 69611576.23 61679944.39 467557322.9 521883500.7 473608886 70490024.61 64800767.63 150264283.5 2-Hydroxyhexadecanoic acid 122736574.4 85038189.82 67513851.09 91185906.5 98704264.24 75329637.15 122288520.2 70079941.76 57814987.3 84208158.58 78736080.95 62103340.63 135023404.6 60838028.95 77609400.84 74892053.23 84802484.02 68668398.35 Coriolic acid 74360017.27 78014857 49647919.38 186719936.7 119188387.2 59140771.04 69239447.98 45250183.53 38823693.58 267808048.4 141327513.8 85486805.31 94600242.86 19744419.63 70669344.36 87525986.4 82967577.67 18451673.06 Petroselinic acid 16204029.24 12216804.65 1960478.26 61151463.32 64252014.12 49658274.81 17487430.09 37405649.88 6198230.71 53980195.93 57190872.37 48237684.25 27337801.84 91571059.67 29339084.95 70152644.82 53764599.85 23840014.79 2'-Deoxyguanosine-5'-triphosphate 38579899.39 91846184.65 30093300.81 53097027.59 60601430.45 23496685.52 52503124.33 207650608.7 33259391.81 89903186.36 53114752.21 68890075.98 67683132.24 24796355.87 52329847.4 50991259.02 31590337.91 23362563.35 Cis-8,11,14,17-Eicosatetraenoic acid 11529463.14 52614320.34 30359225.6 21171055.1 19776457.5 13740350.66 4278535.46 9958546.3 13273627.21 31896714.59 8229966.55 8468527.6 13168544.3 12923065.6 9935662.4 11100413.86 33087778.07 7698241.71 Adrenic acid 3633085.12 4288875.96 2107487.24 41094304.21 77189148.82 28920566.75 472366.4 35909888.43 619822.33 37616400.51 28961311.19 41734515.92 4830631.79 63604970.93 14637540.1 37809928.66 82428719.3 74718626.29 Heptadecanoic acid 254209079.6 154750818.5 158583258.4 175638096.7 215377313.5 289709150.9 189523815.8 208698919.7 151177424.5 153957669.3 200413250 268763717.3 249253684.8 310320703.6 218077924.7 197325355.3 212743938.3 306005205.2 Vidarabine 2209523.37 442103.77 467378.11 1640346.37 326237.86 1276742.42 2976370.64 22699611.69 2280596.73 4842049.82 5429246.28 1273363.28 6457142.64 55319556.62 8789644.22 3714519.29 9460646.56 8605623.32 Furfural diacetal 42909708.96 44754520.46 31839669.16 54312449.57 80599503.51 19413297.26 34015671.34 59816769.74 27271458.68 54811959.29 54240235.6 50777616.29 50027386.53 51030194.11 48000910.31 48263300.82 67510819.86 85000475.08 Valproic acid 78646885.55 153595133.8 71738106.47 124315282.3 274661814.3 43236692.65 82656964.96 227850802.5 68805291.79 171265314.2 132245714.4 104968391.5 98198364.01 79230118.61 158993654.2 122009354.7 229370119.5 250824292.5 13,16,19-Docosatrienoic acid 311057.78 358099.4 213601.13 2735869.84 11392791.41 7043423.41 211445.32 4932632.03 66170.61 3271771.86 5719940.4 7020611.09 737866.24 8943345.86 2654397.97 6639383.98 18424326.47 13468556.49 3-Hydroxytetradecanoic acid 13194973.87 9486364.76 6216449.58 5578937.83 7597200.4 3281443.51 10033228.16 12166333.59 4348999.33 5483175.39 6789580.1 8879532.66 16184257.05 5544093.59 7441668.67 13566561.32 5780008.74 7653550.07 Acitretin 237259500.4 50551128.8 186842566.8 208678776.1 298885201.5 54359193.25 238748442.5 77918147.26 434108706.4 125265825 77979429.68 107745108.6 317735844.9 78070810.23 501187527.1 89101782.38 483876336.5 99390256.18 Glyceraldehyde 2760464.7 1904223.5 2152586.23 1204589.1 2581202.75 1201576.3 1490837.58 4509635.07 4621589.59 2667446.9 449823.8 190595.53 15109411.73 12635107.76 33486516.64 2137318.45 2196047.15 609780.81 3-Hydroxydodecanoic acid 8844937.16 12735027.41 12968336.85 19095838.71 31500544.87 8887838.01 6689046.89 7591246.12 6143659.7 37873168.07 19804358.09 17635860.04 12120044.66 8883383.07 9062331.57 22859672.02 26245438.13 2916607.65 Ethyl stearate 198532046.3 159526662.9 171787134.7 165701269.6 164081733.4 287470346.8 193309801.7 168585803.7 250534120 172332709 229415749.3 217634198.5 192253309.1 223388918 466555730.7 184659438.6 258983525.4 270218870.7 Ethyl tetradecanoate 92403022.49 106625100.4 114980228.5 106523371.9 100969943.6 106860350.3 109915689.7 110992295.9 103960947.6 102921477.2 96597009.12 97643466.79 111995203.1 112725142.6 83528504.25 97146788.09 104705054.7 106833867.9 Glycolic acid 6783006.45 4181294.88 3666596.92 4361546.14 452487.03 3497620.05 694514.12 585063.8 1621178.76 840195.71 1758662.88 1220226.48 2340651.32 2712600.54 2974674.54 2974857.17 3548116.29 3632302.34 (S)-14-Methylhexadecanoic acid 15911578.52 19553255.32 20983455.68 15642043.27 17624343.57 14904303 18941816.47 17051086.6 18700025.34 14475604.69 13211580.1 18668021.6 28509223.67 15233785.1 14340321.17 15830678.24 15434649.83 22405949.18 N-Palmitoyl Taurine 44581353.71 17014843.56 24548485.19 18222791.3 44015208.35 45843309.81 42747543.05 55227797.18 27318704.72 98986306.9 26074094.81 98190792.13 30032365.66 28547819.02 15103761.77 39602009.86 23674765.87 15296453.96 Daidzein 396078945.7 335667641.4 352272679.4 551553731.1 493933902 255962210 341399308.5 307170331.4 283101578.7 442981127.7 386412710.8 460849544.2 508154395.8 347677177.8 362834490.2 354129131.3 387921658.1 385187060.5 Valerenic acid 471354095.5 437088565.2 418096837.5 641092755 654374339.8 328803423.9 468322999.2 538105811.3 354436907.4 467635990.8 505418607.1 569336883.6 588861366 771457854.4 520841242.6 469634252.5 556499117.2 532531832.2 4-Hydroxyphenyl thiocyanate 929020188.1 839285701.2 668027916.4 978473358.7 994773296.6 1001403473 1087361716 2315693863 761168447.3 1090640283 1268643560 1606817579 1055132180 1143391529 859756667.2 1250509720 1302698804 1417552878 Corchorifatty acid F 15470846.44 8161837.92 4706313.53 40451516.58 37653914.89 9856759.6 7057768.6 9943863.76 4003729.45 29643650.65 24512268.92 19022031.35 40965973.17 2862019.49 7916530.66 22715174.13 29276496.61 1576528.14 Docosatrienoic acid 1784782.29 232325.1 756614.49 2794245.35 6844476.64 4573837.82 184692.23 5213054.48 61679.14 3450501.67 4415586.56 5473099.41 611625.2 7371147.13 2035025.47 2677929.82 5209361.41 7044723.36 2'-Deoxyguanosine-5'-diphosphate 37473466.5 37990433 42645279.29 32912970.4 30681225.75 46858574.02 40189506.25 21345057.49 40381862.06 32150205.31 90313468.71 34873499.33 31422910.23 7561317.64 65364922.18 34277984.9 31449856.45 55068575.18 1,7-Bis(4-hydroxyphenyl)-3-heptanone 214423019.9 202313171.3 19661868.64 332285975.5 270348756.3 81091998.12 72264201.8 22663860.08 71850165.84 223323307.3 147216347.8 115580821.2 39952380.61 92500900.52 132775268.6 63622292.38 76690453.38 47963200.8 p-Cresol sulfate 15837432.72 14265995.08 8466588.86 6449373.53 15150437.7 2544346.5 6964629.8 27360274.51 8440146.82 8629219.75 6912961.32 10755347.97 49080679.63 61839837.81 63413818.86 6293002.77 11288559.5 20100990.71 5beta-Cholanic acid 123559.06 1833983.22 1049039.28 1751845.82 4353102.26 2101249.72 87300.97 1991385.11 918580.22 1484698.49 2088772.41 3666177.06 528300.07 3102898.11 702827.94 3018483.7 6422191.38 4016550.37 Glycerophospho-N-Arachidonoyl Ethanolamine 457185689.2 472968202.1 412202183.7 386205571.2 519200728.8 365153682.5 481854358.5 646752030.9 481430990.8 476537509.3 502327360 477152455.9 466316859.3 681249132.6 495034440.7 427680661.6 550029910.1 492250006.8 Methyl hexadecanoic acid 160396419.7 242570855.7 174565105.7 145668890.1 201856317.1 233065936.2 227607973.7 176595757.6 208991256.9 124272853.8 205391850.4 203184742.3 200997427.5 240245615.1 167665037.7 174295806.7 258349975.7 213330392 6-trans-12-epi Leukotriene B4 9601441.29 11085203.65 10657758.3 11894815.16 10746054.8 8618204.69 10865352.94 10777106.69 10120362.98 12761153.11 11665724.09 8299298.21 9846205.87 10389090.88 12435833.36 11809726.78 10458991.74 9445507.13 Mannitol 1-phosphate 57629241.02 53677336.6 41615057.78 30411594.4 45401822.83 30662930.97 49156092.84 52027370.88 30351073.4 46133389.86 45390529.63 38475630.53 100531882.9 96967274.23 129908602.2 56692299.78 52037025.81 43958837.28 Galactose 13345986.02 12162567.38 11308655.6 9914616.55 7783806.72 7348182.37 10626949.35 9466672.01 9933275.58 7683351.23 6036290.75 11181144.17 16033410.23 11529835.55 10563334.47 6030573.56 8019688.56 12025517.08 Sorbitol-6-phosphate 4007389.98 4220394.87 2952959.57 1982004.13 1522869.75 1588914.82 2583132.06 4257379.64 2440982.12 4123325.95 6439311.54 3164074.79 9007002.84 9677769.76 9461470.08 3251477.71 6877300.87 3445231.25 LPE(20:4/0:0) 20431089.54 22406281.91 20031244.52 17156776.96 10843300.22 14796182.33 23044808.59 24431182.64 26417741.84 25485604.24 70100488.5 22324096.03 23086371.18 18929822.41 17673007.47 42150252.81 33270499.42 20670541.45 Nalidixic acid 7159269.89 16257664.17 3336771.82 24309269.04 36174355.49 4100525.69 12727356.37 46922105.86 8528401.04 29518158.9 25541955.46 23133121.59 10832913.21 3698063.48 45303242.79 30755626.86 62352196.42 66610177.52 Malic acid 225675663.6 235751853.4 154183157.3 128892009.4 126549038.7 139000661.2 210199815.4 206777777.1 143253359.6 218045444.9 246046986.9 214819448.6 144964167.4 168331991.7 143563939.8 221380120.3 177354903.3 154981456 2-Methylbenzoic acid 40797354.76 48888835.4 36409167.62 50107323.65 62081292.6 33735814.41 38728337.88 54145396.46 32358800.54 56333856.58 51716831.57 44604028.54 43221871.52 53536565.84 49162276.17 125920332.6 60248280.38 87296978.89 Uridine-5'-diphosphate-glucose 102052093.5 82729078.33 83277096.73 32712571.18 26104822.55 66851351.11 77265438.17 47380287.32 73232950.84 32757456.15 38273453.11 39830576.06 53991369.49 47726048.02 54401662.35 37727594.45 34551767.92 32391319.11 Ciclopirox 38520388.91 39318838.95 34085395.8 34630785.14 39031362.08 40728512.23 39183683.01 33188411.98 39374111.7 37739321.29 35569838.4 38506764.07 37223952.86 35468575.8 36350602.76 37374299.17 35307113.4 35521809.23 Sinapyl alcohol 26990245.64 29433977.72 13324069.51 63715670.46 107748350.8 41631816.44 25686521.14 35256999.93 13961994.11 81436889.06 66816802.07 41486646.08 47682550.12 24481068.35 29171933.97 65925650.81 74725609.79 21419753.67 (-)-Epicatechin gallate 6712478.29 20804104.91 6299901.91 2880030.12 5253162.72 6751157.25 3255221.23 211632.17 2631812.95 8435284.52 5783154.31 7679254.17 5827333.19 1359917.08 646435.71 4150178.35 190058.17 3831032.32 4-Methoxycinnamic acid 31752870.7 26556038.4 29823977.9 31856607.04 31299649.76 33359056.87 30757120.51 30515180.79 29886052.93 32327052.79 28519924.72 32572880.91 32978580.43 27390755.89 33087176.21 32180826.68 27790452.46 29465723.9 4-Ethylbenzoic acid 26922835.05 38688584 6186048.5 32877200.15 47158692.57 31945387.2 17348004.57 29348116.77 19996896.95 45966848.11 41621576.69 43678367.51 35328681.61 35255701.24 27276354.91 58186786.67 51056075.15 45719166.12 cis-3-Hexenyl acetate 28663109.08 29603711.49 27528577.27 33203469.88 44995808.84 34342561.23 24428191.17 37413215.5 24518239.59 44566484.04 36804137.42 40371877.46 41082037.26 40744246.16 35634299.59 43381144.47 47233890.2 40011457.52 FAA(18:1) 23411587.66 11906079.18 7385551.3 22950140.45 23987732.58 12283206.74 11887424.53 12427255.02 7444819.48 16630134.85 16441600.75 11621168.89 22466751.55 3050817.31 9427774.58 15086001.09 16579489.1 14183097.91 cis-11-Eicosenoic acid 32953027.84 10419498.47 9707034.82 8931109.78 14729958.63 41670761.44 18582512.89 16661403.78 52677768.44 33656955.08 30259173.94 26875797.95 37814110.32 40000000.11 158535669.7 71394788.76 25658078.24 56627029.8 Elaidic acid 63189154.75 32175542.09 32367023.7 82857337.06 133095947.7 122986556.1 69001336.21 111435137.3 36650968.9 120135697 93179739.18 114580434.2 54501908.65 141515805.6 74509498.72 135804264.9 151114873 102800197.3 Norethindrone acetate 28003229.81 19407232.11 30623527.48 20600716.98 15504395.58 6014650.9 13855801.62 8187780.66 44741588.77 20862697.83 9542161.24 7323874.19 12866735.68 5456041.01 17370003.88 12929824.96 10355718.39 18609704.39 Poly-N-acetyllactosamine 69073718.52 74167843 48786842.67 70478935.16 170238370.6 33686252.88 40923877.02 89901502.64 34831558.88 87002726.45 96130466.65 88484348.38 73068513.51 76271487.83 76915447.13 84960791.89 85343430.62 76076819.91 2-Hydroxyxanthone 12635856.27 11384136.28 11485742.86 11107953.49 19012972.83 19055990.29 12069421.15 16494816.4 10802569.99 17804336.97 21804607.09 15722630.68 15767736.17 16133488.23 15770615.02 22188234.95 18594173.6 24826760.7 3-Hydroxydecanoic acid 12741679.17 38216789.17 39907327.11 16940258.85 23387735.48 13697143.34 13313152.2 19391851.78 39022121.12 23251917.89 42213006.61 17443122.27 24286140.82 11668501.57 17359787.15 20118308.35 24155187.77 19884978.75 8-Geranylumbelliferone 16186322.15 7121350.14 5871414.92 12278193.67 8309520.85 4906720.2 13091438.3 4133189.22 17112511.23 18754429.63 7214136.2 10343772.61 5444416.59 6742258.85 8359283.2 3054516.83 3647567.16 9294768.57 Nervonic acid 13639927.28 13982982.09 7308430.31 7581331.9 3720299.66 544454.18 10368021.28 4609293.85 4508853.59 4421377.32 8568711.18 1346011.57 7466239.74 6565529.6 8631544.81 37799247.56 9942378.21 6282936.83 LPC(14:0/0:0) 4355817.6 1988186.55 3238860.17 802656.19 3552463.93 1232674.47 4085204.74 859420.88 1754586.3 1656195.87 2357321.22 2029879.19 2152227.14 23008830.84 2052925.19 2920008.28 1035632.08 3508801.92 Prostratin 693.38 693.38 693.38 693.38 693.38 693.38 693.38 693.38 693.38 693.38 693.38 693.38 4561.95 693.38 3466.92 693.38 693.38 4133.61 N-Palmitoylsphingomyelin 159915417.6 128519993 134607802.3 113051043.3 103065480.8 95782456.57 93130962.76 55207810.23 100211533.5 75379330.72 102747073.3 90387217.94 83125466.47 93232791.91 87872363.11 83545146.16 96529284.04 95528176.65 Isoacitretin 22101625.11 18915394 12084633.54 6266828.41 17977373.93 9921266.51 15411446.41 9496777.37 19481897.65 21328349.14 15029796.54 12219049.71 13528544.37 9912351.57 44824955.11 6475499.53 11199633.43 13759987.93 Alpha-Ketooctanoic acid 364532661.2 98981687.94 89028514.93 160611712 517294663.5 613104226.6 458030503.5 300816649.7 61339181.99 429544103.6 396816834.7 352248378.3 279028560.3 97240707.5 89738559.34 326371213.8 452286192.1 109474226.1 2,4-Dichlorobenzoic acid 47776900.04 59619695.76 63112919.25 63074608.73 84572042.93 77448886.54 63186255.32 67219943.9 66139919.1 105467139.2 72473157.13 92190823.15 98672109.31 90565885.92 84566862.03 113426982.1 122609105.6 96665234.69 PA(18:1(9Z)/18:1(9Z)) 1798641.97 1563083.12 3754588.09 4975496.28 6331050.7 9144776.04 7682897.81 16396128.33 9591845.25 6933767.36 8044910.95 20111074.92 9631325.92 15805843.05 13894327.25 9883184.54 9869236.94 9985137.14 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 30076609.15 13320866.86 11304278.68 9438863.19 7109760.24 10960039.05 10400816.8 6711327.01 6731975.82 11692308.05 11377465.69 8645793.28 9349037.63 7031349.86 6059341.87 7907662.04 9624614.23 11053556.16 Uridine-diphosphate-N-acetylglucosamine 32645244.96 44808114.52 688060.61 60826753.2 127239962.2 28666281.02 32789276.8 18060605.6 54895225.72 107743204.5 115221347.1 41331621.82 138756513.2 144626552 96569665.19 96526571.97 131099937.7 76803804.74 3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin 25926488.29 29693720.94 27772375.89 29558986.28 44223365.11 46405172.45 40584872.63 55178598.11 38577215.74 44267437.93 48044027.42 113184604.6 34687479.91 41716896.75 29364709.05 49330117.97 61075619 64276975.89 1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)) 36484256.02 30973425.8 68140608.58 50257611.16 36110317.82 73696319.66 42731933.32 61424132.17 14150859.46 59410846.96 33899876.94 33128009.85 48021646.32 22732392.09 44603410.61 20983505.39 41312473.21 46735164.9 1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 2565042.47 317380.81 3445510.89 1619832.95 2664515.97 1208602.51 1352019.85 2393709.97 3666549.21 2476884.03 1508866.51 2580681.94 2739899.72 2201069.4 3287012.8 2441748.9 2516919.26 2344611.45 Phytanic acid 100774684.6 72007230.01 57668972.61 53643204.2 52037934.69 78891351.99 57309118.96 53729492.53 94068086.71 67774979.01 69429942.31 61982428.87 53288026.72 65230198.22 139961295.6 78106354.85 57463796.47 73395047.54 8-Amino-7-oxononanoic acid 73303692.81 67884570.04 73935613.17 69069202.9 65494391.35 60859398.3 108018368.3 66199006.06 144006955.1 65228523.27 45617808.35 62050340.61 64808930.8 56235104.81 66469021.07 60951671.99 57024115.26 57950833.44 Eupatoriochromene 13896924.61 11869454.13 6476117.38 8570293.09 17434377.27 5555646.26 5091394.77 16215732.77 3527883.08 9880891.91 9285999.91 15317439.24 14437838.05 20179484.92 21243582.94 7951278.33 22006084.77 17294420.16 5-Hydroxyvalproic acid 14567526.17 14759060.24 11032760.02 26220304.35 19675443.03 13189539.39 10774520.72 17459594.77 9854126.27 17472187.72 12614283.95 11856145.98 32543882.9 16506599.4 10323896.97 29170799.51 17137700.69 18805608.82 Pyridoxamine phosphate 14897181.4 6238145.79 18328419.83 1890196.75 1129899.13 30783532.9 15619038.18 1432664.85 18655644.52 3267987.45 2515456.94 3090859.46 3453857.47 261871.48 982582.43 1976375.44 220700.13 2244747.74 PE(18:0/20:4(5Z,8Z,11Z,14Z)) 7004105.62 1696290.78 7208854.45 7369032.98 7103218.75 8486156.36 8936845.33 8955515.11 10377896.59 8358324.93 9012488.64 7392966.86 6577456.13 5173129.79 9658798.86 7455647.15 6821864.91 7067837.95 D-Alanine 36180397.33 49453598.79 36717439.34 25869196.95 86306289.65 19230076.59 40211874.29 75224979.49 47846853.71 33873932.28 26052541.54 15378033.41 59859385.99 130323031.8 87294403.9 39341758.34 30786497.84 40412060.81 1-Palmitoyl-sn-glycero-3-phosphoethanolamine 21185355.85 22594229.16 14949918.2 14036341.84 19636222.67 10766372.32 15313893.92 28813100.99 16884253.29 36092526.82 26590860.2 22635217.53 23658919.37 70925582.8 29303400.54 36043937.15 20808132.16 22477611.26 PC(16:0/20:4(5Z,8Z,11Z,14Z)) 77030871.68 61322056.79 81159130.22 142245758.2 49191608.85 37990029.88 34804817.91 16481298.99 24713504.55 44366789.18 33118954.4 22439588.51 21943823.45 16761415.88 35653958.53 45335360.71 40016313.76 27600061.47 12-Hydroxyjasmonic acid 21950959.12 20207481.82 15758169.82 26775719.96 26081873.39 21832574.56 16541368.47 15980450.17 14491657.78 27230452.05 21807431.07 26206757.44 21743582.7 17064942.69 17677584.01 24718672.1 24477525.14 25537530.3 Dichlorprop-P 134403530.3 132776152.3 146089387.4 134414402.7 127749773.7 142997318.9 136354710.9 127878429.9 156643848.4 126038230.2 144514270 132892233.9 152596496.4 128314430.1 142456882.4 125094360.9 134526540.8 117807517.4 Stearaldehyde 3515137.93 1410056.03 2640717.31 1780684.06 1176720 1611908.05 1694902.53 1007740.78 855574.08 854091.76 976625.43 857244.13 2910841.14 25625.64 760776.21 806690.11 709958.14 1315622.47 (-)-9,10-Dihydrojasmonic acid 72537238.48 60973265.94 46986698.98 79139097.83 101766939 28121343.57 45499456.85 101665129.7 51549571.09 111429153.9 85476384.52 88572888.73 80414198.8 63312255.67 89302410.08 70821811.55 87139317.22 108362295.1 Eicosapentaenoic acid 100309856.1 74346978.76 46343629.28 233669898 340510133.4 112612089.8 108392446.8 46773234.67 40031094.7 234704720.8 228627824.5 179728680.8 159201115.9 31834650.99 83730270.2 275379922.1 242854241 2676598.96 Hydroxyvalerenic Acid 26391881.42 31259358.15 27444491.87 33034334.07 36762374.32 23308466.42 25741961.09 38648287.01 41300204.29 34634330.44 27516353.28 34078387.97 31981599.6 29436244.61 32934611.14 32015827.98 62873384.6 35946822.46 Estrone glucuronide 3147468.95 4584283.05 1638037.6 657029.25 3582905.38 2457870.47 1856112.09 2248517.8 825974.44 2974202.21 3035474.04 3490424 336332.71 2025036.65 2075572.77 2326821.26 3183090.28 3566057.32 13-HODE 20395138.06 18612304.21 13639414.32 15559439.57 18613067.71 11508282.15 19289805.26 14552219.76 13724043.71 23476982.91 17455078.16 25108352.12 26420851.03 17420974.72 15658952.32 21562598.25 17176877.72 15197823.55 Quadrone 24737461.83 30058892.06 33249052.8 28951133.23 35975817.81 34615496.33 21450265.35 35256378.63 31146892.87 53622818.35 29822602.73 30320303.07 39602481.37 32308444.46 31655949.95 35986124.04 51960685.85 32199793.48 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one 2245834.77 1876489.75 2220092.83 3906645.51 10031215.1 1833354.57 1983269.9 4737010.85 2065147.33 3803127.55 3313613.12 2652393.98 2257669.29 1632702.44 462343.27 1529839.88 3719829.13 4023518.19 2-Ethyl-2-Hydroxybutyric acid 17225153.79 11248394.21 19169063.18 12357950.42 32863568.62 15204304.98 11196962.57 31781398.98 12406065.9 21823197.09 23667501.52 18705961.98 24210032.44 20210686.17 29295709.79 22638653.66 13171144.45 14600277.16 Mevalonate 5-phosphate 642232.37 541618.01 2442059.61 48187049.13 102721153.8 13295395 3489760.12 1444881.72 8976226.9 83088998.95 79562420.77 76158570.17 5632822.78 7495069.4 192456181.5 93193323.17 97812644.08 83502025.06 2-Methylguanosine 3984878.83 242567.56 3908118.21 4184886.82 265395.44 4139088.56 4201274.38 15179526.71 3462407.41 724601.57 222688.25 5995520.46 4842492.37 59918023.61 5126023.15 220132.6 10261716.68 4357011.81 Loxoprofen 4391850.8 7247258.59 8204069.45 6726976.71 5360418.85 21165955.72 9119195.25 7394369.97 6613992.51 18299069.79 17706179.53 22478657.71 9778310.33 10270454.88 2863643.91 20527643.34 12568468.05 11807474.85 (+)-trans-Chrysanthemic acid 10716510.82 10170454.56 42427052.3 10705727.11 13400668.43 10807625.93 10170654.06 12825276.85 9628318.19 11857614.34 11488488.82 11302745.61 13482427.37 14702006.94 12034131.79 11283164.35 14810665.25 14471630.32 Ibuprofen 41669648.47 34851974.73 34624092.9 38630424.46 38935092.43 44660444.43 39255174.01 45129202.82 28413865.2 38847890.15 36093076.58 47029614.57 40113124.75 51081530.33 36385829.74 32231021.17 36552819.77 14606110.3 AICA ribonucleotide 6861542.22 13619715.8 11350761.82 11144660.42 25154226.44 1362071.57 5002956.18 8752579.83 3444259.88 10455841.16 22283910.27 7096666.27 10053582.6 9761223.94 14080160.05 13560621.78 9931964.5 17822993.2 Hesperetin 6626402.39 4055249.39 3202061.3 11832912.51 14971667.37 11842730.36 6039668.94 2717538.68 5146566.08 7011993.29 5444659.38 7053253.53 7725057.43 1106568.7 636366.28 3784801.42 3310465.41 2265642.78 2,3-Dihydroxy-2-methylbutanoic acid 150826771.8 272589107.4 106508268.7 87946979.92 158962921.9 73422561.82 136893684.3 188505824 94290813.57 121915700.4 133848393.1 127331130.7 407830617.9 304105089.5 435577781.7 114841852.1 137649146.6 225732381.8 Maclurin 12247224.38 13950303.3 8786299.41 14359622.31 18470290.31 10015924.9 3890726.5 20489792.8 8144324.33 13029962.26 8829127.13 12275493.25 14833110.91 9096584.61 21394253.31 3518376.2 10327100.49 16752770.01 Acenocoumarol 1512087.01 680312.55 1907737.06 6518168.67 926919.2 750000.34 915908.04 84527.67 3266378.06 655449.93 1000222.73 3368769.61 1264001.47 377319.46 26619537.81 380199.39 3178951.62 1255958.28 Androsterone sulfate 33509210.54 21978339.92 18138098.98 44592578.84 46583922.42 37096211.58 34105087.61 31402706.2 13547612.84 41015017.07 38522762.01 38383742.65 22591687.72 35041516.39 19661302.24 30098070.35 22889959.04 22590339.86 Isopimaric acid 15009518.34 6424909.47 3696992.41 6277026.42 30131872.62 5295285.2 10625326.17 8682014.39 3798393.58 7588393.22 20954655.94 13378404.07 18190792.91 32931288.11 8760979.03 6622020.21 20892955.61 7032160.3 Guanine 36565765.07 38843676.32 33709716.29 17211050.61 32466798.98 24829184.39 51253669.91 36609501.62 33878804.9 45558223.41 31911772.84 31210462.32 38846908.22 45899882.92 38011538.12 32170363.2 57514063.82 25087930.02 16-Methylheptadecanoic acid 22614174.62 26007204.39 20217731.7 27606237.26 44809768.1 29680048.9 29996028.77 23059270.86 23629611.48 19554145.63 21817557.58 21396769.56 17653036.96 23842639.85 30651159.29 40799367.46 27061743.03 33575122.82 Armexifolin 186631749.4 264333065.2 161907971.7 217851514.6 322950739.3 73784254.37 208831007.9 379879186.2 161255651.8 241147871 224731586 235598279.2 217360421.5 211322243.8 281680685.5 225585182.7 370428571.8 454052212.7 3,3',4'5-Tetrahydroxystilbene 1250868.83 3388701.68 858568.42 1761270.51 8306130.48 173996.55 1458808.37 4184536.71 145381.66 963912.01 1338598.48 674454.5 1914856.89 590275.15 2471381.68 1643936.14 4442171.89 4443940.58 Abscisic acid 30029482.35 39632748.66 10590016.41 10744405.58 94611658.33 7332213.75 14137466.68 24326388.93 11676142.86 23788079.58 30575263.97 18540128.62 20461365.45 15968863.83 21516921.69 16967707.25 31796115.53 29676674.07 Prolyl-cysteine 4147286.85 10550045.14 1917124.02 15642103.43 20085914.23 2471260.8 7101513.33 31899325.85 5510368.17 16345284.19 14730576.1 11965799.56 6206118.63 18680801.96 28082360.18 17481313.45 30833624.02 44407269.15 6β-hydroxytestosterone 7458628.58 4210308.16 5140545.48 3780715.94 5375814.91 8976941.82 3673320.79 6239757.1 2705236.58 18500812.63 3626166.2 9156168.92 4105488.05 6314998.95 4789131.37 4099350.56 5264838.85 3628764.77 (R)-2-hydroxystearic acid 11150800.27 30411883.42 27037383.49 16188417.39 15034535.18 16109624.52 18873666.15 10743012.68 16318253.17 11268440.7 19656714.06 4035283.44 18310119.95 19689754.93 9075788.64 10040840.84 10169866.37 5264562.94 Alpha-Linolenoyl ethanolamide 3751122.09 4350702.9 4740646.9 10122496.57 14746334.73 13303910.87 6932511.24 3338219.46 4730884.44 13874451.31 14579748.69 8436528.6 7168076.4 2963682.04 2864800.36 4844529.55 7987545.8 6192708.46 Zingerone 24734787.76 30886467.41 13049600.12 75900310.34 42935357.83 41154861.55 21841537.63 28202030.92 15153493.94 81394585.48 74861253.81 43555068.61 42239393.87 43013177.45 25896100.43 44357566.68 53393720.47 17213224.68 Oryzalin 179371.72 588804.45 1435159.33 3555191.21 6945869.06 443007.68 2138013.6 2573414.15 285588.53 4111367.11 8130981.7 2564480.74 157848.46 1110968.02 1062420.63 3526560.61 6937411.1 4897057.07 1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 48031334.19 9876360.63 5588814.29 30524465.46 29102843.92 10780299.52 507321.09 2291372.22 4941267.5 11496059.28 12767756.92 6780178.02 2037739.16 10454490.49 8795261.84 13181440.49 13018800.12 5281819.64 Lovastatin acid 9555923.78 12948396.21 7321288.39 4441942.32 11251805.96 3810244.31 8389212.93 14917916.77 4795383.42 7204839.23 7732280.59 2168903.83 10080617.33 40492790.04 13661813.96 4942964.38 9373415.96 8444767.16 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid 7108143.17 1301142.56 1186090.31 1465068.91 10165209.99 3848614.32 4217338.18 6572210.2 3326056.54 1999987.03 3582361.04 4890668.7 4609798.16 4962910.05 4682450.33 6384976.01 9087682.04 7511773.6 Helenalin 5487324.32 7506268.16 4239011.09 4404199.61 33739197.64 2504252.68 5575716.31 5440237.29 12803291.27 10710189.07 4669392.5 10357914.2 7945369.36 5613754.48 9264595.03 7541740.82 19173553.18 8471977.63 3-Phosphoglyceric acid 32418678.71 26305932.91 19721993.53 11675042.98 13965866.2 7473543.03 16253189 26539397.59 21597850.18 16405008.49 11601701.15 12216192.14 109251800.5 118839153.4 126760718.1 14124739.41 15837573.81 18875281.02 Carvacrol 11352810.5 24207412.65 13679682.39 14698849.5 20679581.95 15469888.25 11106353.03 13039922.46 11455676.26 21794384.09 30037037.58 18649444.66 17651377.82 18766430.53 14590417.95 24039303.64 22543973.97 37670094.7 Traumatin 8347619.84 12981766.12 5697214.5 8111374.11 10804543.11 5979757.49 7437909.11 15515050.95 6449059.97 9077959.21 8882215.47 8170487.22 10319744.2 5320106.54 15839137.38 8286333.28 25155647.51 11821940.45 Esculin 1278706.56 1706176.73 930826.19 552426.24 2875438.15 1066232.55 1247236.93 5848734.92 485958.24 1062037.97 1549080.14 1812104.38 562203.39 3602966.78 2695551.79 1498614.62 7486735.81 4096001.91 Deoxyuridine triphosphate 5278255.79 5638095.02 3525071.5 4501185.03 2773527.22 4271831.33 4884266.01 4649814.26 2374031.61 5706984.88 5377560.08 5214318.07 4816569.16 5189335.37 4860887.18 1990762.79 5283573.87 1847084.35 (R)-3,7-Dimethyl-1,6-octadien-3-ol 4376837 9030209.75 4828946.86 8411366.91 14674663.48 9418840 7792108.26 13721910.42 8216645.1 8763824.92 6098075.83 3025916.13 14110595.51 23927816.37 5169705.36 18480937.65 16643232.9 14819961.22 4-Methoxy-2,4-dioxobutanoic acid 50528552.29 43674890.64 34384350.42 21709800.41 33774402.68 31185441.09 49480086.04 35985894.76 40954195.94 54364269.18 58005098.73 53729601.32 47011558.29 12765582.61 38856025.71 56756015.07 36135261.8 29680780.19 Daphnetin 5844022.02 9642162.37 3705685.32 12230330.07 21634903.81 5020702.6 7885839.63 19730806.35 4807443.98 14011680.87 10934032.73 11769939.91 16782894.11 3650416.08 4307336.39 12414048.39 17525032.08 11919385.85 1-Heptadecanoyl-sn-glycero-3-phosphocholine 13574265.81 7269836.93 11013069.01 4254032.76 2041594.65 5103370.83 370767.19 416949.94 951660.39 4085456.46 20424997.59 1525661.4 6159113.63 466318.07 8561745.1 5817628.61 3406632.96 3509708.05 N-Methyl-a-aminoisobutyric acid 36782680.8 43208567.73 32535843.81 18383106.57 48857001.8 19810584.77 19282814.43 44158346.41 39092770.11 51025828.24 51273970.21 37823321.84 59519317.35 498349113 85900693.07 61218234.48 62624159.65 37946142.63 Boldine 14436192.54 10884875.64 15150080.47 9388763.73 16131489.21 19543049.08 12728049.11 4011931.04 18497803.3 4432553.01 6368511.45 24220998.29 15868152.41 2867682.33 1489202.26 7954357.25 8295137.88 5283404.68 Polydatin 6057425.73 8782060.59 2301545.61 4428835.93 8820024.11 2387937.86 3175690.64 15453829.11 1373430.5 12361198.11 7455898.06 12593513.11 9549590.24 21417004.4 8233806.8 7561818.25 10654475.93 15801694.04 Aminosalicylic Acid 27413925.9 31917860.91 26510956.59 34375955.83 42254266.49 40251311.97 21268529.94 38909967.07 23906167.7 47357225.9 42950859.65 40468094.18 34617504.37 37605965.98 36543945.21 52592085.89 46237865.91 38541108.78 3-Hydroxyflavone 4577544.33 4670205.03 2250123.13 10212992.78 16553633.41 9765371.93 7363218.55 12908822.91 6190848.87 22108710.73 28308947.74 12154000.78 5426774.81 8056170.75 9505118.76 10686122.46 41846401.09 8489801.35 Lyxo-2-Hexulose 15550559.62 18213800.82 11277367.88 11578708.98 17664156.04 8277660.83 11622677.71 21518352.94 10128083.77 14610601.93 13090691.31 11242535.75 76533393.23 58837263.4 103076281 13047686.58 19694041.76 11586748.34 Diprogulic Acid 13479429.56 13245944.78 7049192.26 16841540.66 38233679.3 10588290.52 6978654.23 19215614.21 5399271.68 51297036.57 36585120.08 20183557.03 36394854.76 19678234.37 24678297.18 34072955.48 52420843.23 12535944.12 beta-Glycerophosphoric acid 2612154.91 2809669.8 2114037.43 1643969.29 1624688.53 3358716.35 2859292.04 17527941.17 2686826.76 2383615.38 2002703.03 1843478.62 2593643.16 27698663.46 3054854.85 2652139.54 17980944.53 18285920.62 Isorhamnetin 20454661.82 23781933.41 23864930.58 23713976.06 31017189.61 10600537.97 12706746.54 23038598.64 15539105.26 26764742.16 14963815.76 29890512.92 34172690.51 18561611.96 17345157.77 11223902.15 22234417.65 28838111.27 Methazolamide 182341693.4 176108585.1 189679428.4 157110696.6 153383855.6 224830425.4 194282618.5 141587385.1 188776919.9 145364081.3 150526031.5 157241281.8 162684197.4 159679583.2 134157043.4 160231248.3 138818551.3 145384644.9 4-Hydroxybenzeneacetonitrile 10717645.08 11364996.42 7297932.02 12986780.54 20887901.9 10127468.52 7519510.67 15244701.12 8909140.75 29817490.2 27647365.37 23013475.83 12566905.28 14546037.14 14581958.14 27608781.44 28002480.53 25105186.07 3-O-Methylquercetin 1557932.95 1114695.18 560709.14 1337200.61 1144710.79 1950846.87 1836449.33 1467750.74 617147.75 273151.46 1626582.99 1575344.9 9028241.89 12422368.3 27681786.24 351209.33 804217.94 878252.11 N-arachidonoylglycine 54751999.49 55458405.09 41827642.73 19950752.07 69216242.49 12073367.92 22625411.63 70984032.07 15574864.61 34590988.81 41285242.72 21845822.36 68613085.61 140345178.6 84315909.36 43090912.88 123612483 52622586.12 Gallocatechin gallate 11579423.14 7391991.86 2927540.49 6893813.32 11387775.88 2097641.34 600086.27 9825274.36 739407.66 11678668.42 8445342.93 9355218.16 21397368.92 8597466.34 14593816.55 6041399.96 7143097.7 19525349.12 Acetylvalerenolic acid 35148055.05 27721894.51 21162363.09 12021973.62 16596729.96 11383539.57 22271882.08 18940352.99 18090138.73 6229302.46 13789508.01 17192060.2 24136159.59 4237236.54 11982949.87 6665518.45 6044787 13138064.95 Mesalazine 66388640.56 75420798.08 58837155.6 86054100.99 108814485.1 97797695.66 61128573.95 97920395.29 54985134.8 121233583.2 109210699.6 116541226 86682582.46 93096369.59 92522733.23 130386651.7 116607494 107861968.9 Rosiglitazone 1153556.16 4227494.48 1166101.42 5497497.43 9717407.55 1166507.79 826594.52 8327515.71 1548788.37 3410432.3 4287655.87 4149989.34 2604733.12 2403693.52 5934725.47 3197813.64 5690733.66 8179905.72 Rabeprazole 27255848.54 12979698.1 10423499.88 16285745.2 26540342.4 18852351.04 16476125.37 12358788.58 5018084.41 23647926.88 10744851.78 20584679.86 12279841.13 19860342.46 4297091.17 6958356.73 20234617.8 10073301.28 Ethirimol 27693369.46 31518915.82 27893384.16 30378259.2 35335744.2 23432725.72 25935386.76 37739489.1 25354499.09 31982777.51 27177451.34 28628933.58 31172934.05 31216986.14 31599861.68 30446584.05 32334557.48 31142190.68 Geniposidic acid 6225410.79 9376169.67 2937451.71 3019153.84 7483457.29 349886.75 2710554.38 14052997.59 2699543.79 7155334.87 5687397.67 4802370.95 15598260.62 28629665.81 30214243.85 7450850.07 10153072.95 9896855.5 Hydroxypropanedioic acid 15958986.12 9169060.89 8590970.41 27871994.72 35428144.55 31945419.61 17205848.39 23550440.13 8545663.41 29569116.81 33071251.41 34652659.78 31545063.28 31441581.51 35367918.12 29555569.9 29971187.79 34296511.43 Coniferyl alcohol 40188331.79 28943057.6 19863159.79 24882209.18 28113488.49 35827936.14 59948496.38 88382199.07 41984851.6 53476069.73 79279139.61 52365329.89 25781678 40864001.71 58501074.94 20080533.59 148988527.9 66686408.25 alpha-Bixin 7174195.8 4993619.29 3813983.94 9311655.68 8685950.84 3090849.6 3955447.11 2211887.96 1623931.87 8198711.22 3249058.39 10127878.43 5156098.88 3502930.73 6426118.32 6928545.37 3479476.89 1573231.83 Chlorambucil 12299519.26 15398931.64 10413755.07 19619984.29 25303063.13 9141882.01 12915549.5 16178956.08 7914445.84 24027724.9 19945213.89 21364929.45 16967445.32 20676924.2 14899493.94 23356265.97 24794129.15 18067273.48 6-Acetylmorphine 3520670.77 4019732.71 3128068.4 2003331.87 1946085.86 1703864.11 3341985.16 8411715.94 2344498.36 2757197.52 2477593.1 3297666.23 9100175.05 4630688.04 9309032.38 3481703.03 1304897.06 3060957.58 Capillarisin 48115996.53 43423102.54 44588363.28 62751685.48 56273064.35 33167540.3 32315080.63 46890632.79 181782846.5 49250586.76 24440847.54 117368304.8 56168805.72 39156071.16 36858108.14 24123115.8 90466960.28 48585063.48 Isotretinoin 17453134.52 14231389.34 6538422.96 23954855.55 25998113.35 9737571.83 13350686.5 12424375.93 3985719.78 12994448.1 7661446.79 26210101.39 9681074.3 11298884.18 9109200.68 9347443.54 17082866.7 10952993.55 (3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol 48025364.85 36069768.9 49515198.88 123119933 107806880.9 57143342.81 62990124.22 53609621.19 52199371.2 79535450.37 84399469.65 103606480.2 91140168.22 96079026.25 67585576.82 89987845.44 110874630.8 71184176.32 (S)-Mevalonic acid-5-pyrophosphate 12864452.36 11718764.16 10057155.61 5710277.21 8275593.22 5830932.58 9570989.32 10508603.21 11446554.56 7799760.24 13520597.86 14108281.85 36799189.25 38101898.32 43005774.7 6594636.74 17240884.46 6013799.81 FFA(22:5) 8255075.49 11319614.75 6431884.83 67010504.08 141985478.7 59200895.79 7308738.03 78804498.05 6677286.79 80768820.62 85574100.1 91118500.17 15539504.84 182509176.1 46695239.15 86570339.41 175842165.3 158903870.5 Tacrine 15818690.44 19098572.24 13336565.78 36264471.72 36972912.2 40019340.6 9021551.52 14300737.46 15990975.74 37068676.14 30675020.25 30848360.76 38217307.15 19878520.27 24432005.64 31307015.45 33835942.3 93233460.25 Ethyl gallate 44096920.28 27697370.06 68790320.21 42707482.24 105109757.2 47674504.4 102662937 39118894.68 49394090.71 73387378.5 72547238.95 133265762.1 56235940.73 105049610.6 103690313.8 65776826.66 44138085.68 98349882.28 Gluconasturtiin 108798178.3 88498115.69 89034292.23 26113775.92 41734625.85 67013178.49 64364693.15 45994026.48 62525745.64 48618461.33 60710888.49 49191142.72 55015523.05 56859863.23 7562959.3 50264013.98 42168841.34 42301503.77 Dinoterb 47173413.33 35202018.51 39570681.53 35930470.05 28986363.53 24695048.05 28655020.12 31251940.53 29759998.03 7316219.42 7593535.68 33821458.76 44141735.92 36336144.55 25725850.57 6906576.26 22450415.32 25685388.17 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine 9160161.83 5703971.13 6735159.62 7729176.18 9001873.04 11585645.05 7241262.19 10879057.69 13924022.46 6243641.07 5818643.98 7876682.19 10440763.19 8252639.28 7797062.07 7506723.87 8028072.05 6886880.52 3alpha-Hydroxy-5beta-pregnane-20-one sulfate 31956250.65 17112146.69 18924386.3 40564399.15 38611062.37 33998930.08 36812132.82 9289701.91 26229087.56 36408661.33 18009814.14 75425045.38 30787171.08 22180191.89 25101001.11 55814784.01 28163679.53 29076541.18 Bergenin 4111152.97 24563576.97 6129196.82 7796340.8 5661211.73 3508429 24359042.73 25732068.02 5006713.16 6752159.43 15301729.7 23025876.63 12385725.22 7101707.61 4911686.46 6173848.88 6742963.98 20507535.65 Amifostine 1555821510 1239144686 1741465894 1317762435 769878282.6 2115904920 1681075958 759214100.6 1805578564 985892177.6 1169619222 1159746725 1066036475 802942219.3 817330325.9 1087807446 734852534.5 704253622.7 3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide 31899261.8 32632552.92 32605953.98 34221469.63 31828503.38 34927087.79 29565824.85 30069376.83 31028997.89 31162843.17 29454216.69 28720549.96 34390939.88 27859785.43 27937630.56 28122018.88 27790968.44 30612159.86 Cortisol 21-sulfate 996876.6 1024328.11 292033.94 483407.75 126186.57 158236.88 450117.67 1377950.19 735363.81 245757.6 77496.39 603635.34 8052221.19 10634967.18 12066487.37 756627.76 1405497.48 1042544.05 Dl-Lyxose 50114908.47 39841190.03 91887361.22 30709230.65 13760297.93 71932375.81 53430100.11 13272826.89 64900348.24 33127930.49 28243447.16 4356592.97 18629233.66 2980273.05 5380042.06 23270193.18 6766149.92 3100219.83 4-Methylsulfinylbutyl glucosinolate 5501687.41 4290952.12 4272377.52 3242282.95 3241247.53 1931508.62 3599799.32 7028534.55 2027264.78 8290493.19 4906649.31 7147894.24 3029372.65 6275237.42 2703311.43 6515539.5 5847658.18 5171615.87 gamma-Glutamylglutamate 2483920.51 2069437.39 280331.59 1137933.14 948474.06 1413325.51 2848592.9 1696787.37 1666073.18 5098145.37 5253703.39 3431413.87 1135965.67 1762550.59 196011.23 3354510.01 2839504.11 1304506.93 Aacocf3 3962729.63 5190169.64 372973.72 1755407.48 5249109.61 241848.44 1580639.53 3040920.69 150427.96 6563348.53 4853329.36 2465382.15 3847100.97 3073092.6 4701608.41 4076578.43 5161522.33 3195592.8 Isatin 5421442.67 7850592.86 3038622.37 7402445.03 22923343.16 3142833.69 4207597.68 33830808.17 4815081.56 14320963.67 29184390.63 31406781.86 27947884.08 19095037.37 24766652.46 56111335.88 67910044.26 50487070.07 D-4-Hydroxyphenylglycine 12166440.43 10178649.29 4061004.21 6405331.65 7053899.5 6254469.3 9257180.77 1396368.04 2383969.96 17756226.41 20466856.83 15157948.59 7190663.3 2223595.49 1889433.78 13007705.35 7208468.45 3029963.44 Phenylbutazone 8780324.88 12077044.77 7513016.68 12477560.73 19858137.34 11206968.4 12772954.06 13865551.34 3729649.69 18163779.58 15986005.68 15421202.28 10730471.82 9767792.26 14044939.29 18700679.23 12264855.76 19397636.02 Coumafuryl 5840097.98 5881559.42 3548711.05 1927145.39 4286501.13 926724.69 2709401.01 10427408.67 4662937.45 3523355.36 3872906.41 2705468.17 45974805.34 53925622.07 56198071.84 3330689.67 6183302.16 6343571.29 3-Hydroxyhexadecanoic acid 11403718.97 6594654.49 1780185.25 15818906.74 21653774.9 10154765.27 4579848.2 13319623.61 3350310.45 15626739.67 11883335.06 10795388.37 7817922.86 21826869.94 7169077.23 15135737.33 14676717.62 8093579.44 Nb-Palmitoyltryptamine 4652453.83 3719496.51 3355124.84 4945637.63 3041707.99 1420628.28 1599260.97 659404.05 995235.09 497612.2 802626.42 1801999.48 8423023.84 2523552.99 483660.02 370367.05 2105271.68 1420760.65 Glucoliquiritin apioside 1248905.4 152961.96 673827.47 510060.13 179504.33 172405.39 622319.1 1250864.5 1226294.02 1163744 57518.8 804323.38 10136904.38 14598406.82 16484224.63 53671.14 172469.14 517467.81 Plumieride 1832570.81 6412489.9 1004866.56 1324822.35 5109618.14 2884356.56 2076657.83 2505022.88 918729.65 13617220.61 4005823.98 2737652.39 2429561.57 2077473.73 1110084.87 2353465.02 18997648.93 5047516.5 Bortezomib 25307901.89 15044173.79 13736180.83 14962475.62 14219457.62 11550041.85 9512576.43 13677654.5 6230328.83 10128621.67 9629893.4 9908360.45 6296075.86 14989125.08 8860544.1 7999475.25 9924133.47 8739373.57 Myricetin 102364895.1 87181959.79 72299699.24 100200541 140791946.5 27376384.95 65438293.08 101795499.8 55506122.02 191506693 42005079.51 92917673.74 66631403.85 164803195.6 101910217.2 77757417.95 51588181.78 254698759.4 Oxycanthine 8083239.01 6591857.8 1336745.46 957830.95 1414722.44 4149297.4 7526761.65 340543.22 1625686.41 9271971.48 12394348.25 8694308.08 1015713.06 2204253.05 456054.61 5972566.93 1646772.5 537236.79 Methyl sulfate 50353779.15 40467007.89 42060354.15 44613807.33 42909879.42 48670854.25 42723657.38 41363959.61 43963961.41 44064900.59 51445277.24 47518594.46 42305553.21 49810654.99 42144805.71 47310282 48967896.48 41932759.55 Enalapril 2343035.79 1377547.83 606921.35 4182329.28 7446706.77 1964767.35 1035707.52 1466978.62 818816.12 4846780.99 3358628.81 3993421.16 2667400.14 5048340.19 1625188.77 1524938.81 2944786.82 4713569.13 Pendimethalin 10107754.43 10404926.58 9794687.47 9474861.82 10539018.58 9060976.14 15250224.19 13870472.09 12938288.42 10705896.42 11561783.82 10899407.26 11097943.51 9196459.26 14190110.6 11002021.59 10881028.19 9495944.82 6-Hydroxycyanidin 16098887.72 20715725.26 9147332.37 14073208.83 7157309.78 4982377.96 9052403.07 8637239.1 8742785.21 9887072.79 12346111.06 16934250.51 41411988.46 33506989.61 26499780.23 10759284.1 10039490.29 9628493.97 Formoterol 13411697.46 12296504.16 8851110.18 12236094.87 14100549.73 2670026.39 15177289.95 22069774.93 7570645.26 9917087.99 8236971.19 14726141.87 14390437.98 14568127.36 14441541.41 6861762.19 18748925.25 17230458.68 Acetic acid 1146109942 1364734040 1311177788 1225336572 1187468573 1490684599 1220111026 693244588.6 1202594091 401359782.3 1068353525 1843212386 1215902009 1172069772 1187537005 1433953188 1280314217 872799853.9 Geniposide 4696156.1 4810165.94 4053919.67 3125106.08 2418716.32 978657.15 2684219.76 4529474.47 3111781.3 3151626.66 4615352.94 4778069.69 7314317.09 20484435.06 19678490.92 5782348.31 8160395.61 6161674.42 2-amino-3-(1H-pyrazol-1-yl)propanoic acid 15920485.07 10745794.53 11735100.36 19273730.86 8554124.77 19163777.59 11248283.87 14382302.05 9648345.65 8222403.77 7717321.61 25525313.87 16392077.08 16813516.2 7431707.55 11377631.05 18524275.6 22384992.71 Perseitol 9401795.23 11978700.41 5800219.33 6312582.89 11695851.54 2831871.64 7158793.37 12567761.25 8363613.12 12297512.01 10169260.24 9746538.91 20638157.28 32005945.78 23901989.81 10122807.32 14865241.45 12294288.05 Indolmycin 6920840.43 6572692.5 8394434.07 5690089.55 4147639.15 5352112.04 7257928.84 3750804.64 5440744.11 4572893.16 3857182.69 4622339.22 3971876.07 3818699.15 3975604.6 2512761.33 1929219.5 3949993.3 Vergentan 8202877.07 6979365.19 5404969.87 6993032.05 9698088.46 4090567.71 5370847.53 8967972.94 4011785.06 7477517.35 7584698.33 7646745.22 9876091.01 8320349.96 11005204.41 5652721.39 6558123.39 5317692.57 Dinoseb 54833084.01 48132994.99 50686715.98 60109893.64 47322545.05 42976030 47598267.44 47792915.06 43153047.85 42040333.93 43421391.35 51831478.28 56044410.86 51340456.37 51860712.95 40508631.42 49429012.46 49051605.48 Deoxyguanosine 5'-monophosphate(dGMP) 896728.54 2406144.02 2247612.61 972715.31 2003204.89 3079473.44 2315608.16 2321031.15 1701479.47 3184358.93 1468860.79 1583883.64 6808343.84 1867780.49 2939289.59 826428.13 3472939.15 1217714.15 Propyl gallate 30970706.91 31603162.69 18214077.02 35406886.96 46832630.64 10438154.05 17431045.03 51102410.57 16906415.09 30814151.52 22810310.12 24963942.86 74105489.35 159467762.6 94695845.9 24628473.06 73058983.28 31587686.72 2,5-Dihydroxycinnamic acid 3584668.41 2350565.87 4518639.7 5529347.14 2213426.24 6447601.96 4286666.72 2672915.62 5977185.22 3244381.28 2938128.63 2960692.1 3024120.53 1957197.78 2044511.75 6611266.48 3522617.94 4240947.2 Allantoic acid 1876465.77 2155166.52 1167168.47 472937.9 7379488.05 164671.08 775397.73 5013268.94 467228.52 2302531.62 131224.18 1345473.12 4676845.24 2659694.88 1405318.34 1586759.36 4075728.43 3861477.01 Cystathionine 89703371.84 94692501.34 133486581.9 115283485.2 116508920.2 58165561.2 51724440.32 5972927.66 96118750.42 8567659.52 38655996.94 41896502.25 113356623.1 44875145.43 82347790.07 81000192.11 38996385.29 30097486.97 Geraniol 28881461.16 50421708.65 20495346.74 21660041.5 54982897.66 15657692.54 18456293.77 25521273.43 11196115.51 21520397.48 20125718.57 20647006.39 34417480.52 20153951.21 22353884.8 19268557.46 26725804.83 27533704.66 Glucotropaeolin 4016888.35 4724396.91 2018790.23 2078300.5 8397648.27 314519.71 1707806.45 12148566.34 1169951.78 1859509.5 2925222.37 768589.23 26032552.05 26680996.63 31986712.67 2214869.05 5104660.85 9430991.56 Glucocheirolin 4358189.62 609295.59 2515676.51 764689.83 8428324.89 8151460.76 1599850.49 7253332.43 775579.07 6489592.04 13670415.99 12881234.48 2611801.08 7576077.1 767511.11 14862603.12 9667428.38 6421189.75 N-acetyl-5-aminosalicylic acid 6502565.05 6817648.48 7617726.17 5849434.37 2229833.03 10339447.16 6320852.62 4275624.14 12310000.86 6964989.32 2973781.69 1875335.44 4235434.19 1952344.25 1228876.74 4174089.58 3275548.15 3129952.99 Trifluridine 96072204.76 79024779.04 67088738.29 42276449.35 55990596.09 47912129.61 65154088.86 70284784.71 83729990.71 58253090.56 59931661.9 56968475.14 236053669.1 256544018.1 251764526.2 59784011.82 58056935.8 55868877.32 Dobutamine 28330646.49 24970474.42 24028221.63 19496598 20088950.48 25597398.88 21106922.61 23154310.91 27686263.14 16918589.26 18828169.8 32317907.76 22733637.66 25817907.26 26857004.35 19540360.67 24478944.14 33469072.22 L-Alanyl-L-tryptophan 517757.27 692319.35 640589.87 1713467.59 2377887.67 1016315.85 211452.4 554777.5 168699.49 168552.12 1404916.54 1445972.56 8996745.3 10235537.79 11022089.08 1554515.89 1602013.61 1089553.06 D-phenylalanine 9969728.16 7911287.37 3694330.96 1453114.62 6448860.38 1340559.62 2406851.38 8497358.67 3255849.36 6249334.17 5106437.3 4113390.12 31763361.65 41015713.81 45658546.78 6350160.36 6948088.76 3687008.84 Cyanidin 4201328.34 1220891.18 3417188.57 762455.51 773582.99 621215.32 3877873.75 1027550.3 3155825.77 435557.81 468212.95 521049.59 27713070.75 2313934.26 23426150.38 888509.88 570716.85 567152.9 N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid 38803963.16 35488198.35 25368687.42 23913366.71 13355923.87 13662664.17 13991056.19 21967854.3 13168262.86 17426327.4 37087002.89 15719004.6 70201467.34 39936615.65 34139078.73 17326410.09 19033677.14 19896983.37 Labetalol 6652935.33 10599677.8 6000882.81 20982573.95 19487972.88 6452096.94 3943742.15 2453546.79 1774108.45 16663347.75 14677578.62 14985294.8 4053123.47 15406197.47 20068078.77 10908292.68 9619782.65 13173115.05 Midodrine 14136813.15 15197616.17 8405244.14 37703164.81 75767909.36 19144581.62 6211508.41 20391694.77 8621554.7 64600842.66 51191070.97 46023377.8 77188076.06 106262520.1 113636941.9 54225045.76 102461774 90824412.72 Xanthohumol 2960818.22 3120295.81 2015628.73 934296.1 2497091.52 156255.14 1138618.88 5814797.78 2185926.49 1557878.64 1200784.22 857499.02 18255134.67 21435350.86 22828168.1 1511228.01 3663583.02 2641454.27 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid 31148867.47 27117217.83 30046389.86 29226554.29 16876042.48 21137701.38 18430806.87 17013409.58 24204793.29 9157793.22 6356028.91 16379244.88 26205994.06 38678248.97 30062438.3 19371167.75 14590182.34 8684846.99 5-Methyltetrahydrofolic acid 8840234.55 10345060.09 3302987.32 778948.8 26223096.43 2685473.27 3547614.89 18239768.3 2370950.32 18075299.31 16087074.98 10644741.06 7765553.43 12496052.42 10821807.92 4802609.53 12997225.47 12636018.52 Ethyl fumarate 15347506.24 39010577.21 38772451.3 11300891.12 12599309.53 33248057.86 43852118.58 13028953.99 42900260.32 9858348.39 58314936.01 23652298.43 12419845.54 40974253.88 25545321.43 50056594.62 40981416.04 57798445.51 Taxifolin 15611562.01 14460558.24 12801099.29 19470219.25 20426698.19 8237901.39 10694790.13 14211390.45 10682428.68 19213272.43 16323070.65 16859884.94 19134203.38 9846484.29 14600363.35 14095918.82 17717601.84 22370515.69 [12]-Gingerol 8086783.92 5265163.27 5461604.79 434817.64 2278436.16 1460342.64 8382696.77 14748985.74 5591021.96 1440516.46 1084183.3 1278991.12 11633672.43 16029150.95 21042571.47 1562986.91 2149279.2 1902087.93 2,3-Dimercaptosuccinic acid 50468164.78 47949431.28 42316625.63 31047568.91 47393246.44 33596047.69 48976630.56 39703659.22 35991205.9 35510461.08 37844340.1 33957046.39 39951532.05 57291235.46 48044725.57 41309195.03 35513170.93 32157033.69 beta-N-Methylamino-L-alanine 14917554.77 16999975.06 14704362.56 16685520.6 24284611.12 12949846.39 14083287.51 21027766.86 12569323.73 20283381.55 16014145.59 17798812.47 18664442.88 18648315.58 18329962.44 19318789.83 23429481 24775914.72 Bergapten 18146621.71 27665292.63 55259096.11 26482610.75 33544268.54 35039472.83 26642876.09 26401991.01 25326857.34 38530196.46 28353295 35849378.06 37149467.29 31361150.23 35413426.98 25597890.55 45377646.15 42774791.5 Isoetharine 35524241.32 24868608.72 15084178.78 13971499.99 21414186.36 2301976.2 13437740.27 33203015.16 9835827.99 7846011.3 4590182.91 18710296.87 36229567.14 21781167.39 27992026.93 3666966.51 15425699.05 17676699.92 Triamcinolone 8207837.22 9498238.39 1983058.58 1542537.15 8481718.25 1627492.31 4486836.33 12926267.97 1999317.68 9064204.83 1372197.48 4612286.57 41721968.37 54428481.24 56803504.71 7499112.76 11238075.62 8679448.71 S-Lactoylglutathione 8433240.21 6688063.25 5043002.2 3955018.64 6178402.28 2475650.33 4666556.33 5358807.4 5309771.6 5337179.62 4649802.69 2421256.91 14516212.05 3916512.49 12327557.67 5720679.41 2522688.07 3547761.74 beta-D-gentiobiosyl crocetin 2098674.45 1622847.64 2735330.06 2848584.81 2350547.81 2656173.44 1720453.14 1926883.83 2185540.17 3159184.97 4095578.61 3367164.95 3795829.53 1741446.71 3165832.46 2687671.89 1008495.57 2527559.26 3-Furoic acid 16931949.94 101368914.7 11080547.16 128894776 25358342.05 1874590.21 31316444.8 42991523.01 10795131.19 15074374.97 27753648.05 107867648.4 104520315.8 16805192.01 22872820.9 29249980.2 29582220.36 24792284.6 Mepivacaine 6088261.68 904269.29 1197410.65 16176212.43 20673878.34 6927162.77 3075539.06 1797177.08 1392926 16150338.41 15993030.64 12649587.61 7456820.58 2082013.75 3548151.53 15225542.55 16431172.25 225225.7 Bifenazate 85639.31 662361.53 77123.41 503174.58 2199630.29 472374.62 568291.61 6448541.97 409775.19 579104.01 398990.4 188740.89 852739.07 1734602.93 1205733.71 254767.66 4921668.95 5350490.67 Thapsigargin 982942.85 124686.14 242534.36 179482.14 730618.31 639259.8 509996.05 105586.25 485661.95 394335.94 532744.33 151831.4 470394.64 516397.81 503272.26 461221.41 476258.16 528115.27 Lobeline 7772144.2 6259279.15 5522136.59 7177350.85 86870365.83 6658992.57 6207491.19 2513232.14 8266778.41 10656758.24 4266500 6396433.61 17581798.17 4066304 12657265.74 26895183.61 6830849.57 7116075.37 Se-methylselenocysteine 6951137.74 6537378.3 4320624.94 23295837.51 25410904.88 11062727.54 5111947.41 6345134.99 2619062.66 26086608.11 25201116.15 20116404.15 13128367.85 5741158.59 9081456.01 20817077.62 19217928.38 27979626.3 Chelidonic acid 286609480.5 268565321.6 322600264.9 339566194.8 988211276.1 248840413.3 285927076.9 314757644.2 283107275.8 1004999725 1018220068 278837195.8 309561971.2 344072594.7 1099882952 338890559.4 284137548.8 356682031 2-Propylphenol 4412832.16 1575416.93 9777270.74 7908455.01 5790104.92 5213921.78 9262405.63 6392474.83 8293360.19 2955568.33 6305644.67 5642060.48 1551415.45 1292281.71 20726776.3 2498056.89 7384478.86 5089123.08 4-(Hydroxymethyl)benzenesulfonic acid 9212738.26 11200628.19 5341749.37 6479994 12600373.42 1779422.52 4429168.81 22958230.51 3848026.69 6326102.09 4827682.77 2982989.94 75824729.48 41410302.52 52987689.67 5258358.18 10855627.5 16960759.43 Hycanthone 22401050.2 14621187.58 12072290.89 13259486.55 12209539.4 11290372.85 11042613.65 11341979.03 8573652 10217846.38 8734719.91 8507570.23 8848849.53 9630069.23 5953122.49 8997730.07 8957704 7556207.78 Pravastatin 1199103.38 4988321.98 436862.72 771072.78 159425.83 253587.04 735830.59 791984 522083.48 247717.5 177953.04 918131.09 426031.37 718721.92 4636042.48 2299504.18 2806692.89 1234269.71 Penicillamine 178830270.6 240526644.7 182303559.3 211120044.6 271158681.7 134935415.2 193427623.5 249596809.7 195025550.7 243533244.6 231945778.1 214554342.4 251711804 246973703.6 248786068.9 221745876 255620005.9 270345090 Phenylpropiolic acid 431328056.3 454693620 81573066.04 306482639.6 430494144.9 382720386.3 329300922.6 394144653.7 433547491.1 411033763.5 366045032.8 352581284.6 310616044.9 368168180.5 403797315.2 300706779 73314028.46 399137954 Entecavir 1679472.15 1097669.32 281886.59 420600.03 1293374.73 723363.54 460780.35 2739446.74 28004108.91 1542842.19 1228222.35 1078251.89 1519302.61 2119978.17 2259133.73 777783.53 3508849.4 2113391.97 Glutamylglutamine 103299457.4 95506248.55 56445136.97 143848280.1 297252547.9 82242740.73 50026595.88 132375666.3 37803948.54 351407029.1 278653198.9 133914705.2 270019401.3 159373868.7 169032625.7 251753545.5 455089256.3 81308060.07 4-Carboxyphenylglycine 23194159.78 22882895.88 27270318.39 22487438.06 20567231.57 26624340.65 23619252.85 23225150.88 26089303.54 20750679.84 24477417.43 20254367.2 22522767.73 20924398.5 19073637.14 22524958.26 19985839.33 22333263.49 Apigenin 7,4'-dimethyl ether 292930.68 163532.41 239801.78 1136282.7 226507.1 846549.63 909711.18 1007958.2 146223.68 248523.82 192453.45 832204.98 9016812.6 6724108.86 6314026.35 690439.61 593506.96 662519.4 1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione 43110041.84 11845372.56 9291152.77 13682420.87 5935825.58 11707911.89 12306564.57 10057855.39 6296322.85 15416987.35 6984719.64 6039160.79 8573947.64 12232513.82 9065383.15 8048251.45 6612106.59 31977336.9 alpha-Hydroxyhippuric acid 23583453.71 20101765.27 26544354.53 20901349.18 5391869.21 27625807.31 24448189.71 16746849.21 26620656.44 49355865.9 3029068.23 7915645.59 15179163.14 8837763.93 6067284.19 12127879.28 2331126.19 7637591.81 Glucolesquerellin 77257.7 81278.53 77372.61 77248.97 77257.7 742842.09 77254.57 77257.7 804417.63 419212.54 620610.65 386028.34 538271.97 77257.7 77257.7 77260.54 77257.7 77257.7 Diflunisal 5278840.36 4962300.85 3852770.65 4317829.46 2604959.38 1489885.23 893825.5 2175502.44 2911452.98 3125187.89 2262845.8 4995522.74 5932262.39 4075588.97 2735416.14 1592556.67 3144403.48 4104980.79 Sinensetin 13114146.41 8528248.54 6381194.62 8157169.84 7594511.3 1605227.36 7132539.56 7735562.02 4573629.57 4379903.41 3080144.49 6791053.25 16075303.63 4902032.64 6831324.82 2065346.62 2434704.91 5208092.12 Nateglinide 577880.4 2084009.15 119152.03 740323.79 595478.08 1847213.1 880373 304448.78 896451.92 7291825.95 6982884.34 4070374.06 1288040.1 7566776.36 2472515.04 4761834.62 2060727.83 1956722.85 Psilocybine 2714525.35 3200138.04 2369895.69 3625578.42 5539486.76 2050255.73 4272163.56 9588346.32 2733768.86 3639009.21 3340434.1 1810769.59 3168825.89 1164548.77 4479526.68 2961714.96 7858620.43 9750619.97 Dexmedetomidine 20267087.8 18009679.92 9107634.28 23043058.87 25707696.7 23344311.14 15359254.68 18245030.44 12577227.54 24665692.05 30044243.89 23644187.07 19014768.36 14071482.13 16480866.24 28183509.59 25919195.37 9991493.51 Mandipropamid 61371241.56 70320337.39 37197600.1 64660482.22 204057625.2 37198083.27 58832960.49 87658184.57 33186065.58 137735744.5 113909284.3 87589138.5 69693655.93 64955942.06 39677387.35 84358060.79 190444714.1 94327769.22 Succinic acid semialdehyde 51504679.91 2320109.82 83330426.73 58181979.71 121839921 3755621.67 98795146.4 77388526.11 58993843.93 78976744.93 40533431.9 11670650.51 125821205.1 68189677.64 114597998 84184925.31 43143814.28 68699200.75 Edaravone 30455640.05 13579669.23 13812336.36 19200806.72 18177703.22 8019977.19 15336965.94 19826924.14 11775356.44 14132696.39 14669002.27 15972112.44 39363653.99 18521417.46 18502532.85 13694962.43 18778192.86 18665916.87 Formononetin 66494664.08 133764887.9 136057282.4 180177927.1 131231107.3 100298593.9 80280147.98 122141547.3 52590199.13 158129554.6 106834189.2 161273881.4 168168699.6 112086533.6 127197541 126406283.3 113873542.7 125992722.2 Acebutolol 31569181.61 27343350.66 13635839.24 32646235.14 11768453.55 28211207.01 20685595.35 34245842.62 8354115.55 26944394.19 13678960.73 19582578.49 12592959.79 29758668.11 22628687.43 16829614.18 13381790.49 2516241.35 3,4-Dihydrocoumarin 1276996.21 535154.15 266810.13 771651.96 626165.85 185458.75 129211.33 560716.15 1750902.55 979929.88 546347.92 553587.13 453707.23 90857.62 1058524.32 327854 277056.13 508241.03 Cromolyn 15368632.62 11225552.47 9646772.06 21089046.1 9338564.76 6594977.83 10882614.37 10007929.53 8259112.84 6605621.27 4908367.03 9106733.47 12806658.26 41002562.85 7137800.69 24236802.14 8551756.19 9682623.37 9,12-Octadecadiynoic Acid 8729589.96 14914691.63 5015750.52 8895860.09 20579117.92 1696095.03 7906817.25 19181881.22 10366771.34 18434697.55 15584988.18 5473596.02 2446036.35 6948339.29 13980526.78 11853580.34 17884216.15 26935951.38 DL-Glutamine 1006801905 496181826.8 499301814.9 303851074.5 253825400.4 595243298 823053886.2 854740114.1 680695783.6 367606195.9 483536147.7 601822605.4 658843909.9 505052830.1 504437086.6 237634458.8 1248531808 621494435 Loganic acid 128498.98 525042.77 304020.41 318169.66 192468.87 351981.09 354482.82 370162.16 128171.03 1210917.45 1180463.11 121934.56 5384134.22 3091910.64 10665404.19 395058.4 802502.73 428441.41 Valproic acid glucuronide 43450041.42 16322480.25 11924915.5 18883159.28 17247347.59 42816134.62 10933831.49 11199176.65 11890508.14 17029023.9 8454769.1 19785956.7 15964333.01 17714214.3 17781360.7 20313580.56 29774809.06 12022078.89 Gramine 16196107.07 14123269.56 17535952.28 18397761.14 21298134.74 17598086.35 20404788.15 25148470.76 16036723.02 19918806.96 20411852.47 18320818.18 26205060.47 20821043.9 17791772.7 23081694.37 25536788.82 22482184.15 Biphenyl-2,3-diol 82242991.43 32979026.3 35849189.7 58152113.51 43043891.02 66934184.15 65076347.37 55956316.64 58191194.68 65494875.5 29198664.71 318132448.1 27156585.2 51062638.75 91551450.9 69264088.11 75697648.66 40026684.78 3-Methylbenzaldehyde 6147062.21 1631487.05 12851507.45 9786796.94 3576582.67 4273876.91 5187133.06 6487805.24 42654298.3 932218.22 7052365.84 4027359.48 1638884.94 1962073.33 11035690.2 1486933.67 5027526.35 7772188.9 Mifepristone 123864.58 688585.89 376203.14 963082.23 150684.23 111724.61 417126.17 678220.92 215584.68 3389311.53 3079207.11 1686044.42 3172565.84 5088477.56 4309635.65 2203174.51 616331.37 435725.33 2',3,4,4',6'-Pentahydroxychalcone 30741665.64 32400624.42 25446262.11 19951947.08 29374766.55 12594783.37 18953645.16 36564075.73 19508409.99 30480053.21 32352499.84 24760509.54 62335461.12 60324793.36 70324085.28 40147555.79 29550197.88 30978222.82 Nicotianamine 28112237.09 30337601.85 13951679.13 13285347.26 31703731.38 5488311.15 10174929.3 60492531.26 7520070.94 27537376.8 21677554.68 19874447.82 53330261.7 53260971.95 67469985.97 29494494.2 52185835.1 50664453.23 Demethoxycurcumin 15825760.92 25798540.51 10430791.19 12066123.56 22705524.27 3954557.41 11122426.78 43233519.61 14389631.13 8099375.84 6486205.23 13999179.6 119295364.9 154847761.3 154225097.8 9204477.6 35008995.47 30949647.58 2-dehydro-D-gluconic acid 1984983.22 2119365.24 1193093.75 1029144.23 3241392.52 118553.12 1464965.03 3608287.54 2171096.14 1243950.71 808727.93 355428.49 9547186.39 24591986.85 26864925.78 1084170.55 2394859.33 3623128.55 Lonchocarpol A 4132637.83 3504231.4 2112887.92 3977604.95 6011471.73 2285064.37 2233283.59 4658764.83 5183023.38 5161420.41 5104611.5 6023345.97 4202060.01 4275349.68 4305290.85 4662111.85 3572809.1 5626072.15 Zeatin riboside 857744.51 1254388.23 621903.84 1308010.97 701676.08 2522019.89 548893.82 4600829.78 344126.39 2687055.18 2470069.52 2122613.27 2116547.21 3104859.25 3083756.37 2112929.23 6690599.57 4475095.97 8-Prenylnaringenin 14108355.1 5363491.83 2294790.53 6744967.74 2787297.2 2615502.26 3472974.36 3337876.81 2169373.49 4339765.85 4445708.22 4627651.2 30900176.9 307066.56 16198529.37 3929635.36 2647579.16 3420879.29 D-Cysteine 81893340.84 69436824.36 67540803.17 82879038.09 79749708.07 38636270.58 47121661.21 57157827.09 48391974.83 59576263.31 52273837.83 93788621.45 118921929.4 73621432.23 74258443.08 53166125.95 57512689.93 73835052.76 Ethionamide 288967187.7 261542318.3 242703453.1 224430408.4 165727444.4 136651792.2 228220737.5 210361715.5 208130054.4 184067380.5 129840114.9 229767631.6 360386955.1 263452356.8 243051549.9 135956262 177447945.8 261383841.7 Alphazurine 7290240.16 14196823.55 4649898.9 5325243.52 5922426.59 9146280.54 7351637.25 4833814.48 3512288.77 5050295.74 6869496.42 4465873.55 5094299.84 4605173.84 5489653.12 6407986.27 4392754.88 7552343.8 1,2-epoxy-3-(p-nitrophenoxy) propane 26722973.45 11830702.11 15045726.31 9161517 4458229.71 16272307 13880490.12 6377529.87 10767403.6 21781880.77 6552203.7 8383239.17 2306888.19 5450926.16 3323187.76 7354032.78 6166254.17 3439285.22 (-)-Arctigenin 2888520.42 4024979.15 3873825.6 2140798.64 2381383.72 2713384.29 2820068.89 2490640.31 4585725.52 3892362.17 2548499.08 1627124.2 3000009.35 660634.89 1967256.03 2124903.8 6606079.26 2142664.28 Celecoxib 436666.35 822981.96 172194.75 1499045.84 7675650.43 667680.48 312611.22 3612004.29 1439861.95 1551006.49 3464764.84 2139507.14 2613399.71 1659795.23 2140281.63 3647611.83 9367648.8 1164033.54 Secologanin 15074907.36 20457274.98 2924933.11 3165880.85 20364250.12 6712363.32 68221074.37 15534617.73 34871851.81 6898065.82 11165650.32 3184211.56 56668099.55 7372266.21 46187546.35 5805684.49 22831383.49 21883693.13 Euxanthone 2238881.93 2793118.29 1171928.6 2871986.7 6238906.17 1724026.79 1361222.69 8146538.26 2060471.05 3497218.53 2517560.38 1933807.33 5873244.38 18386779.24 8972554.48 3593266.9 6145307.9 3420790.57 Fludarabine phosphate 3250.92 3138.85 3252.66 3250.61 3250.62 3266.47 3211.8 87859.18 3250.66 3238.03 3250.62 3320.02 963949.23 1627890.91 2039909.24 3326.92 17765.12 3099.49 N-Palmitoylsphingosine 6178837.31 10597900.09 17149816.89 10048758.18 3600541.11 9328172.43 3289351.83 3565506.7 14564607.77 4867617.18 24247845.25 3658800.92 7387157.24 4312167.73 7297155.4 5831508.99 9484049.51 19381252.34 Melleolide H 23134762.53 36534092.66 36307210.68 20737192.93 24942140.01 21809395.34 19214307.89 19153029.21 23706448.49 22303511.85 22665222.1 22320961.73 17823506.62 22582732.32 18259884.74 21099754.72 25087608.37 22096018.19 N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 10859226.33 8970598.98 3101814.92 3540613.65 2520471.34 1559314.45 2830986.77 2194461.89 1730626.93 1093377.95 4709962.85 2170611.71 1755789.16 1938494.05 2858439.4 22553739.42 3819750.82 2362704.2 N-(2-Fluorophenyl)Cinnamamide 54548449.37 78461565 30869384.74 34458444.35 158739480.7 29808693.72 36905963.07 139900664.2 30111314.56 57720971.88 101647034 68827084.48 82046527.96 59790722.23 119782899.1 33479493.73 113168475.3 81071682.25 Clidinium 247314137 203974566.5 155920523 190561470.1 187788439.3 85664391.08 154760276.3 161240408.8 122372894.8 150506042 127187450.4 158462923 203345136.6 100454330.2 126857607.3 111050177.3 135327355.5 129922332.9 (2-(1-Butoxyethoxy)ethyl)benzene 341995763.8 363615246.5 282193368.1 1303918222 1256824300 793038175.1 257458967.6 353231300 280415671.1 1235863119 1276910722 1177526088 290737432 266534835.8 280190579.7 1064410373 1197801268 1211320213 Zopiclone 5939666.52 5028742.48 3390229.33 6110991.09 6803239.74 1795792.91 2500230.69 4917324.33 2698179.2 4898039.74 1809566.33 5875761.54 5978765.81 3610661.19 3876518.73 3049589.23 5946779.15 5444292.73 Ferimzone 163188123.1 136478314.4 102560914.8 48348442.87 67228648.04 48153212.48 114162200.4 177508773.8 103484737.5 63801185.12 55704072.64 54169019.54 195711544.6 157887507.1 153526224.4 57255874.33 63692998.15 70871036.85 D-Urobilin 23029149.77 26852568.87 9927361.89 6378164.96 26218008.42 3260435.26 6472809.92 2625559.35 5699354.75 21022812.22 23655055.55 17557635.62 9961769.2 255227.68 4568483.03 19143257.2 27540289.3 24581013.91 Cer(d18:0/16:0) 23282794.15 4367767.39 1345969.07 4220551.16 7863569.63 6582178.34 4295290.94 7621326.45 462194.06 389159.37 15229534.65 3456100.03 6285468.71 9680139.06 7198689.53 4761636.8 9807956.86 43360371.54 ganoderol A 2314155505 2234146128 2253871256 2203647078 2202909355 2272629512 2243028464 2134960188 2302793199 2164994022 2185691665 2191000961 2302791729 1845354166 2201107248 2124337680 2194617713 2221212861 Benzaldehyde 60269630.01 46711973.61 45149974.33 53229987.12 47764683.17 56492884.12 47739033.59 39150766.7 50739093.47 9415786.4 42125718.97 39180995.41 43640779.31 5481440.78 36973591.82 51606903.3 27799389.21 42962527.17 Lucyobroside 3473402.33 3439811.92 3449266.92 9241842.05 9887884.1 5399396.89 1542455.46 1807354.46 1271093.11 5625743.17 5705337.83 7321162.41 1236795.51 1306745.85 1151065.56 7762744.99 8158845.17 955910.42 Rhipocephalin 8494453.85 6215056.49 8048722.2 5949897.91 7198180.08 5150882.89 13658947.66 5710554.85 9105812.88 5667725.26 2692258.49 8415386.23 8698512.7 5578432.59 2829280.31 8433742.98 5531012.58 6011293.56 Metformin hydrochloride 36731767.35 32773567.52 13567598.13 11342475.84 23723935.43 270374.84 18693148.53 33834746.19 12822657.03 33571007.29 30275368.75 16632297.05 81907172.07 103970359.9 69424120.7 28333505.71 24795310.83 17758812.44 2,3-Bis[[(Z)-octadec-9-enoyl]oxy]propoxy-(2,3-dihydroxypropoxy)phosphinic acid 5748869.84 3896653.99 2107171.04 4435059.01 3146442.01 3413008.06 3195368.48 3390670.06 5577615.49 4920483.08 6096912.58 4660702.03 5716408.16 11860008.98 6667071.28 6269717.42 11713377.42 8017522.94 Thiabendazole 17699872.79 15205474.03 15467172.02 15845130.69 19554810.8 19116730.15 15670857.88 15834252.93 15045717.83 16984057.68 16092287.89 15414968.62 14876233.18 12747326.99 15637317.94 18356206.79 16690998.56 17664122.21 Longifolonine 106857.16 481482.63 378731.48 264096.76 2394577.36 427901.51 416505.68 917846.05 434009.84 1434968.92 1049878.61 121928.3 674426.1 163495.62 299988.12 1097297.09 3578990.62 1134438.53 Phytuberin 3246267.51 2456078.2 2973555.31 3423523.25 5636432.53 2217978.17 3455690.52 9058365.29 3714987.85 2452441.92 4403346.6 3923166.98 4488858.01 4257400.98 5208973.68 4477470.28 6928385.29 8309483.57 2',2'-Difluorodeoxyuridine 5424504.45 6262235.12 2363201.02 4811401.11 2619184.29 4411422.24 4383298.38 1834191.53 3449376.36 6412626.66 6144523.75 7046273.79 15537335.63 5409388.42 798234.59 4508235.64 1952046.29 5712131.51 1-(4-Methoxyphenyl)-2-nitroethylene 14176 14953.56 14204.9 14159.01 14158.3 14155.79 14158.26 14158.3 14154.02 14158.3 14158.29 14146.16 1091312.82 1426033.07 1921025.74 14158.39 14158.3 14158.3 N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-YL)ethyl)oxalamide 802679.73 3108889.63 1976442.26 2198460.13 3292173.27 1936035.62 1064339.57 1253763.02 417212.15 2737809.55 3007921.81 2615479.79 3331538.99 1981500.88 1303832.24 1718270.62 2753216.35 2276920.61 2-(Hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol 843652.68 890513.19 833906.17 521170.75 982912.25 168727.81 752582.6 331247.68 233737.55 425273.35 451023.02 566759.72 1265660.15 2759883.79 1554404.75 330877.96 1133500.55 818526.69 T-2 Tetraol 15639845.98 16357225.19 6017482.26 35122199.25 25235541.14 33946423.71 26119495.1 16183218.97 14156387.85 29842000.5 34504307.82 30915555.41 29040682.88 15224817.18 25740562.81 33900362.34 25668846.81 26818433.62 Crotonoside 665244.13 3520225.46 82663.29 4261739.88 8119229.41 1616431.71 5147691.27 19618503.05 98013.7 3652078.26 4390109.69 3493610.35 31315181.49 134171029.7 8466342.95 3068515.41 4737381.67 4725023.88 3-(N-Nitrosomethylamino)propionitrile 78091666.01 75854499.19 80320385.08 71526927.54 62991555.4 73158349.11 74715407.41 74249198.43 42469534.56 190533497.6 89813836.67 63619799.01 80126465.18 113961269.3 100623254.1 78494942.15 111325925.7 202630771 Spinatoside 5427455.22 4715916.21 4502933.61 4147887.05 4653494.46 1272845.4 5159808.12 3777328.78 4485682.94 2848496.46 1757846.76 3576040.78 6275686.08 3363741.4 3202571.76 3137221.54 1838827.8 3377423.24 4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione 3942826.32 2868757.97 2122800.77 3883541.42 6526997.19 3867787.28 2081460.31 2842462.09 1006064.26 7186720.04 6195868.22 5936539.18 4331300.01 5031638.05 4966416.6 8457973.65 8413835.46 6743239.1 Aklomide 972822.13 3597112.55 1848803.99 374372.77 678510.57 1485717 1853335.07 1631352 481788.56 459315.85 4519354.81 773852.85 4792979.9 1787643.41 1752527.71 2697382.53 2715440.95 3306923.82 Metaproterenol 22791030.55 20864255.5 21684705.95 18477059.25 14885266.01 24823168.99 20093569.71 14178115.21 22877472.54 15985652.86 17884205.9 17671601.7 15625038.91 13668775.27 14106041 16023801.71 10945801.07 13909501.54 7,8-Dehydro-3,4-dihydro-beta-ionol 96120.71 1357661.69 119549.24 121724.96 881836.93 649706.58 150090.03 2640048.18 366064.77 2343800.35 2780530.31 1266110 10365952.82 3994231.54 12053191.87 605929.17 453792.83 118529.88 (+)-Cucurbic acid 1113655.82 2321536.13 1572826.91 2334221.76 3856776.86 546112.79 273945.26 2220951 1199691.65 2598503.25 2735684.97 1922408.55 785304.26 1487043.49 1918628.4 1823049.02 2009775.12 3653867.91 4-oxo-4-(3-pyridyl)butyraldehyde 15693423.37 13162255.97 16414439.9 13800693.67 9335512.35 17683539.57 14594695.38 12254393.51 17123309.05 11695871.42 13469713.64 13108230.62 13585491.08 10616195.68 10479575.7 12408102.12 11726071.08 10197443.56 Fenazaflor 1111512.13 1066639.62 749434.97 932666.48 569456.7 1160485.09 175657.9 1781409.25 721276.08 862679.86 768218.88 1277125.77 1013087.67 1701930.7 1056036.74 1374301.56 1358650.52 978386.81 10'-Apo-beta-carotenal 39907759.05 32828851.57 33226473.3 23422209.07 31830129.94 34047430.53 36513708.68 30519609.64 34827812.21 34914037.07 34918650.47 42680961.03 31057804.13 25359578.03 33098872.5 32557943.68 33374313.31 28016007.86 Creatine 25071209.22 27796994.55 8129580.55 9809420.52 18455768.08 1529663.93 33433691.2 27892727.55 18465598.06 18210679.3 18815683.66 18316103.8 30046415.09 41806080.73 31732237.94 20772922.25 19534480.06 16315982.99 Pyridinoline 3878845.98 3042671.12 758969.43 2916299.86 2399175.25 1651833.62 1914883.15 1204724.75 1800722.87 1492033.45 1164718.13 3363111.99 4030831.06 813104.6 1894828.94 942846.18 1391126.65 1447733.14 rac-trans-Sertraline 1229099.13 1811947.96 1422213.1 2389758.77 2593941.16 942101.69 749002.51 2465934.95 818981.62 2882352.19 1180890.96 2391583.3 2000891.29 1768819.84 1461967.79 2300426.42 2975831.46 2042222.61 Methyl 4-(methylthio)butyrate 1912679.47 4763294.71 5420947.07 4082707.58 3873290.68 8217273.48 6093771.22 2427284.6 2891784.23 1819195.9 2743884.54 1838087.1 501676.6 3019897.82 595778.81 1954670.32 808819.31 996216.64 Globoisotriaose 4324.4 21622.02 4324.4 4324.4 4325.71 4324.4 4324.4 4327.6 4324.4 4324.4 4307.68 4324.4 265170.89 249309.07 392251.43 4324.4 4324.4 4337.06 Chlordecone alcohol 33959572.41 22370574.45 34471884.08 23676677.74 14210008.95 12392142.47 33638700.87 6760029.13 36303154.67 43574247.71 13736331.45 33965410.56 28013560.35 19233848.51 14485693.25 39320071.92 15348139.6 12405887.75 Parfumine 2178378.13 2313155.3 1211707.92 784151.3 1453987.55 107215.25 993202.37 2622826.14 1513503.55 1315683.18 571075.36 800047.07 12645416.77 15751388.89 16472911.04 1085750.39 1918667.76 1702653.15 N5-Hexanoylspermidine 18651402.87 13041638.36 6109952.69 36250050.05 64329082.72 15088202.06 17315607.5 9260803.57 6381044.74 42033830.57 16004930.09 8046683.57 30123111.05 4279068.13 15019844.14 45894788.56 59184645.44 26107362.95 2,3-Dinor-TXB2 4580863.45 4101214.65 6040960.23 11905527.36 4973088.47 2755262.81 2728081.61 4636219.39 4334045.56 11895084.05 2308468.55 2368057.34 5801917.03 1087145.47 4087921.3 1729499.65 2452035.9 1532445.22 Oxprenolol 8108191.35 8391849.25 7211169.88 7043584.01 9524651.79 5646503.89 11015224.36 12788301.59 9578146.12 7796374.31 8549579.93 8641986.92 7978430.96 7553362.43 11601805.13 7736182.87 9075065.64 7847019.58 (8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid 5558613.22 3884279.28 1611201.81 23737249.52 35180734.91 15544678.14 3673661.25 140604833.7 6102983.35 22502022.42 15880740.73 20850949.71 8849950.37 223056527.1 29152906.78 18709859.15 63795837.81 64866084.66 9,10-DHOME 13875889.86 11948204.6 10496090.86 11980852.6 12763828.37 14371843.71 14190890.48 9654726.94 8322378.17 11713019.01 11296152.33 8920286.65 21318457.46 9149455.2 6403190.7 9316208.26 11242503.99 9388204.18 Dephospho-CoA 1755351.71 15314039.61 743386.66 8121528.34 20455428.01 9899244.97 141900.7 72993423.94 1153922.25 13845752.33 16420865.74 11520654.5 1130818.58 79734231.08 41644783.64 15313869.57 46482080.87 46292573.88 9,10-EpOME 16783360.91 16348231.74 18714191.07 17572521.35 27593773.42 32912990.58 29161316.95 6309505.34 22154800.92 16095603.07 20762076.73 23493102.26 41162370.62 4396878.14 18056872.28 26932805.82 34374537.54 3279369.58 alpha-CEHC 7988249.02 10275544.61 8146805.57 15858609.83 20353179.84 11368330.45 13621915.59 10904246.92 7957758.07 14891987.09 13919253.68 17558376.94 13387034.36 14292683.91 14104001.06 17193214.83 14628060.64 10602924.87 D-Arabinose 195424635.3 113301287 271338605.4 109185267.7 47882816.52 400405750.8 232396987.1 49241666.9 259882880.2 63321900.41 74938154.34 76642364.77 55257588.75 48720130.75 42086337.59 72453488.95 44703905.11 49141040.59 5-HEPE 3546687.74 5681050.98 1669322.08 18573910.86 15237084.77 4771604.57 3270586.82 2609318.74 1398741.74 4688662.36 4588865.32 15956220.34 1292910.87 2289386.47 1539731.37 7502764.09 6189016.59 5176510.75 Val-trp 10599267.94 8420163.03 4629969.35 3236243.36 12395295.95 1356602.02 3015799.34 5397232.03 2223618.64 10623178.44 9073973.13 3677245.48 30386887.37 18143673.42 15929357.54 10533969.36 15882637.35 28143164.54 12S-HHT 3795649.6 3295085.16 2964353.38 1306148.38 3564160.29 546966.29 2650518.7 8586033.57 3366461.28 2590981.76 3627221.08 3017989.49 10995046.03 4014116.76 15335971.1 2343415.48 4725776.93 1653370.21 15(S)-Hydroxyeicosatrienoic acid 4923325.54 5425498.69 2971102.72 754800 2611023.57 203402.51 3661815.86 6063018.8 1213025.94 2347834.9 3151799.22 1421654.39 8193044.16 2419424.07 11491413.12 1621057.26 3180637.15 3203906.67 Phosphoric acid 14656367.37 15471511.37 23494730.58 16369436.15 12863188.52 32946130.03 23368562.31 10282635.75 16403041.43 25787212.65 21562284.64 16667205.09 9537909.83 9481883.15 9648477.66 15476556.15 12974931.24 12225422.28 12,13-DiHOME 23959101.94 17921037.95 3209507.95 5492575.81 30152757.81 3917165.45 4235476.45 3795185.79 3250620.33 20780169.81 8305547.74 9472845.81 8048181.18 7670080.57 8118733.86 6386850.97 23467281.96 4628170.07 Tetracosanoic acid 15168376.18 1849425.34 7103805.12 14087140.67 21842011.01 19036872.96 13048006.34 7975255.94 1884447.5 13298528.87 19006127.82 22783853.58 16020029.83 20096822.34 17325949.19 29455748.33 35750141.42 11995809.84 9-PAHSA 24833799.69 27007289.34 24782954.35 44143786.03 37848350.7 40528313.69 28946311.23 37753834.47 28129668.58 40054246.57 36810327.57 41542569.6 40358453.06 30951301.15 31394787.59 43687909.55 33299949.51 31518468.14 Nonadecanoic acid 23723041.36 20634914.11 18459230.26 9344494.75 8556742.17 6773211.01 13849037.42 16261396.07 29823930.03 10058885.02 13549290.34 13227520.49 14010909.05 17045847.59 49155483.95 10139453.59 26814233.5 17049691.38 Oleic estolide 2791514.05 2154703.67 1901517.21 6412916.89 6293804.39 3109128.48 2413075.69 4192561.34 1958808.24 6766330.44 5459268.66 6343176.19 3311008.78 7536724.21 5045435.52 6115849.03 4827380.29 3060874.91 3-Indoleacetonitrile 34553998.48 27121879.94 21525609.88 31432346.72 36547044.06 56196501.45 23251408.91 34133336.03 17772790.51 25450471.45 24679043.03 25859456.27 37655733.81 34056888.41 29868475.31 25766129.87 55196689.47 39924070.98 Pov-pc 32234522.21 21290558.21 25225699.65 21819271.02 27949457.63 27031576.22 19775781.37 20577718.38 40635221.69 20005922.04 25557068.37 20054917.42 29124824.16 17096144.7 22410724.69 16756203.02 25984012.81 19225047.95 Fusidic acid 3597224.01 3092362.71 1109930.71 1669217.23 5738370.11 570058.36 1288150.02 3572200.7 2115183.73 1451772.5 635381.47 1115153.72 1798795.1 2622490.13 2797488.01 930050.82 1724202.24 1069563.18 Palmitic acid 3802146052 3976882070 3959242156 3804932316 3369226872 3808614172 3902866626 3772125359 3605352780 3364312232 3289985355 3454500909 3727571102 3749764348 3016608985 3085257451 3340773533 3508675848 2-Hydroxyoctadecanoic acid 85932611.33 67147714.52 53950945.11 89051712.4 74098526.47 62700824.78 79783759.36 42958137.07 42814253.88 72039295.03 65805517.38 50339343.54 89263979.49 46028126.26 51484381.1 65179210.19 54851071.42 39873577.47 FFA(16:0) 704831102.3 2638980524 2564420922 1481102980 480579324.5 1186797844 1981334186 423391252.9 1877897178 1859377419 2046017957 1155174867 651567636.3 561943217.2 754706513.7 1310673339 1075123009 685517457.8 13-Methylmyristic acid 74915326.47 69295534.54 75035395.75 113131544 70663208.22 64020060.53 73830781.08 79857475.95 65195555.79 105699477.1 63763805.11 125274095 162054136.2 88112307.81 50213939.25 107230181.4 129522980.1 81445302.77 2-Naphthalenesulfonic acid 3644856.66 5616424.92 2520727.26 3649549.41 3128177.14 1143663.32 4224679.35 2656161.19 3896133.67 5606301.14 1686974.94 1831216.29 1309484.31 1176929.67 5762341.37 800901.56 2338391.97 2799585 Glutathione Reducedform 263634215.6 124724098.2 146184887.2 28431297.06 56233760.28 102809310.8 98586435.51 58595223.11 92616341.89 53512873.07 63753048.47 52255167.82 61397712.67 60666495.84 38473668.24 51111192.45 48364231.91 51332799.67 9-OxoODE 76979795.69 65621051.37 43928490.92 55302848.03 63411508.19 23131921.26 66199378.35 43365112.78 43811916.06 61450749.22 25661890.44 20249363.25 96770687.4 23436531.96 68852921.54 28743317.63 43515357.46 3187582.49 4-Oxoniocarbonylbenzoate 29939612.55 35667267.32 56801077.39 82896937.2 84679981.06 31751715.9 35391090.21 53308595.02 86109038.8 87322555.62 58652542.89 70177199.46 39878990.63 73303532.21 27836841.41 84831443.16 94406040.65 80001139.78 LPS(22:6) 6932901.16 2185786.98 2425145.53 1273014.15 3271888.26 1988972.04 1613880.73 2958407.64 3131870.61 5935739.27 7018034.38 1702958.36 11596228.6 60986364.68 7552372.16 5119205.73 4782335.51 1304024.61 Glucose 4294881.13 4244910.77 4367321.05 1835189.01 4693382.63 1579238.53 2141737.73 2069631.73 3974329.09 7661643.69 5787237.3 5723726.58 24151646.19 21334176.5 22350814.61 2601174.97 4861521.83 8197148.3 O-Phospho-L-tyrosine 24097663.18 24238082.09 28241819.96 27235489.97 16287685.55 33146987.76 25295314.17 14658331.14 28713139.78 20489649.93 21178067.82 24845627.29 20707793.06 13449206.82 17933224.32 23857190.37 16084074.13 14443816.46 Vernolic acid 7852214.01 10005932.39 4478877.98 7693702.69 8260135.34 4153623.28 9313305.54 9958705.05 5067951.18 10534955.88 4154721.98 11585710.71 10153117.04 13157113.62 8505433.91 15176514.88 8811908.86 6936732.83 D-Phenylalanine 23183237.28 27304556.39 7739229.58 13062165.53 25401839.97 7735068.78 8574389.14 36702339.68 11400848.31 23059388.1 18126605.3 14797959.47 72658117.38 55729536.27 60800494.91 24289072.62 29647014.86 32544490.96 4-Amino-3-hydroxybutyrate 13994725.38 18327512.72 19896424.49 17043655.44 4937855.83 28461361.73 12012046.79 9372548.04 28954196.24 31484776.72 11383123.44 3983021.97 5883827.03 4842583.14 9138194.36 15007411.62 5408534.35 96846606.58 2-Dodecylbenzenesulfonic acid 55782262.54 39749869.8 17010107.66 32714539.76 4533793.88 13441771.14 49170343.26 13148411.85 20592021.81 77180593.63 22505167.72 21143259.41 12649270.41 14781078.18 120277102.4 13639572.08 19102566.05 23954073.25 Aconitic acid 65222441.33 72737011.4 67560957.87 64661814.3 59045411.64 4059111.11 63066338.91 41692784.27 62958463.71 50420115.46 33029205.48 60292580.59 65740710.68 61207193.38 62423030.51 56350071.16 66339943.12 55007857.33 4-Hydroxytamoxifen 13764924.56 18217106.51 7646406.63 8969491.12 23745915.61 4043034.03 28095826.83 42220791.32 7059975.09 17549671.67 20502454.35 11603228.14 14174771.66 6848003.34 28604102.23 12943057.61 28404550.71 27764310.94 Cys-Trp 49821716.65 42214788.85 60674726.45 65424486.47 29410468.56 73253121.19 51657528.24 30811658.43 61882467.94 39431899.28 8064106.99 46779933.09 35530483.68 32704178.22 32795844.74 58991731.16 29337855.83 29240248.72 1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one 3565175.72 2690380.31 1158792.71 4014308.48 9386777.72 2488299.35 2033809.57 16826021.62 579017.36 5454843.44 9474087.12 5820675.38 6753266.08 5759603.32 5773032.11 8921304.46 8748958.61 1670436.94 4-Acetamidobenzoic acid 1884208.03 1653298.12 1113206.65 1328042.79 1685038.7 750393.68 1209574.3 1435487.73 1157286.21 1593928.4 669150.36 1117026.23 23831427.6 11104759.28 9801297.49 944166.31 1651456.59 1566848.62 Propofol Glucuronide 17311718.86 14056684.51 10351135.53 13113528.83 12211148.65 6052142.73 10245035.57 11527294.35 8809979.51 10610854.74 9362833.76 10627089.42 14781128.9 7033176.34 9416075.16 7340255.19 9495699.63 8676832.29 Pregnenolone sulfate 5745951.32 4268123.53 4461295.07 3747984.48 5930128.03 3840908.56 5235873.88 6299143.78 2644874.44 5062203.57 3356029.15 3657788.11 4058832.08 4042486.17 4061095.01 5611762.96 4967155.81 1937216.61 Glycerophosphoric acid 51654249.99 43378221.58 51867234.7 40596255.74 41897540.73 46122712.38 46469063.93 52145291.09 33223683.52 35725189.95 54505490.28 33815367.78 44818137.02 52129922.84 35625624.68 18877500.14 41198216.35 50114378.92 Asparagylalanine 5188300.7 5007251.86 1351515.69 1807741.6 6936632.8 388221.42 1632586.85 7468669.4 779546.4 6503598.37 4492810.46 3281838.98 14083002.76 29200355.22 18744658.21 3074220.79 5891010.85 5652326.94 5,8,14-Eicosatrienoic acid, 11,12-dihydroxy-, (5Z,8Z,14Z)- 8259273.3 5808381.67 3381155.75 6923330.84 9372455.78 4006085.28 5616468.18 5944696.76 2065168.03 8083386.9 10364385.75 9434638.49 10113208.39 10039138.53 11039214.5 10735079.06 10231732.59 7634200.07 2-Naphthoic acid 150460939 116020434.6 75929964.94 165604401.7 98334843.58 97847400.94 65877057.7 153500301.4 191734950.2 106466555.3 64658485.55 642687209.5 56159169.31 133218337.6 174043975.2 126482501.9 159640750.4 139587248.6 Talose 23930889.33 16818587.81 19932537.63 22793213.47 21926165.96 17867109.41 19698648.41 20984494.25 16653333.62 18251235.38 17656018.19 22061793.28 27987200.55 21967704.72 24201540.92 20036788.97 19622382.54 19228808.93 3-(4-Fluorobenzoyl)propionic acid 10370413 8485760.3 33355159.13 19100954.96 18537363.3 23657628.99 14001217.44 10388742.56 35087220.99 19607072.68 12336501.11 19563698.87 8968512.91 8418725.9 6610824.95 11303773.07 16379747.98 7481195.17 2,2-Dimethylglutaric acid 18301400.73 35074142.06 20662846.46 25113842.29 19638025.33 28265939.76 27810711.73 19891416.84 22897141.63 24007280.75 18881100.52 21428550.73 20086657.83 16133324.14 14776082.99 16939637.86 11112488.71 18310157.42 2,4-Dinitrophenol 215190300.1 295140688.1 257271666.5 280446137 383446788.5 339408312.2 264775742.8 339187583.7 243354888.6 405150066 336134117.7 405667879.6 320596865.4 384290656 374474292.4 538836590.7 497409224.4 477783521.6 Nordihydrocapsiate 107898125.6 136422615.2 101243358.2 117710244.3 177714627.4 73253305.33 105458749.3 203163483.5 100467819.4 141572600.3 115040557.5 122681951 147683447.1 157122080.4 172358917.6 111604014.6 164721858.5 175891156.3 Stearic acid 95629199.38 75548875.92 89485008.77 104789936.2 115147527.2 109122119.7 96501674.45 116153571.1 77402125.38 92671034.03 117356021.7 99068713.27 84960278.21 136709232.5 114502937.3 96682335.5 113717015.5 101150032.5 DL-Pantothenic acid 14182314.01 14867107.89 5850825.27 14318896.66 34569810.23 5191933.06 7623726.68 25110692.18 5101277.43 28301270.97 26300340.48 17437829.26 26363910.92 42404802.87 20466646.81 9078949.32 17158244.93 14462967.57 LPE(0:0/18:2) 59033412.94 65034003.32 52961492.68 21899407.48 24179723.51 24786838.98 55657942.66 63747505.97 39561041.07 28095113.92 41633846.01 28814237.2 52089775.55 184655837.6 91787748.39 42392831.87 23830027.67 37141376.66 5-Oxo-4,5-dihydro-2-furylacetic acid 119704756.6 86715417.39 356545517.6 79094857.4 101947698.9 266210758.7 69953445 89635405.59 65191222.83 108661500.5 102439062.4 964138706.7 86423639.82 67573176.68 180817342.3 107498857.4 717212.07 83302175.55 LPE(0:0/16:0) 184237228.3 203846329.6 124538787.8 75677382.91 71260606.64 48326980.59 139989316.3 197464118.6 119005914.7 76467930.22 81570346.55 74551540.14 167165012.6 309320294.7 212060171.9 79756311.37 84393555.16 96717038.06 4-Dodecylbenzenesulfonic acid 31172825.48 3363096.44 7510505.69 24923319.44 21405969.08 4756401.72 9243331.8 2017384.7 26093460.74 15238735.75 7437989.01 4444516.93 3145514.11 4974741.82 7629029.82 5569122.09 5246787.59 8624330.17 LPC(15:0/0:0) 8233527.29 17440953.96 3813251.02 7941337.35 20431338.98 7417500.7 13040154.3 17953104.32 2951679.22 18359549.61 12733106.63 12575035.7 5237145.43 26214440.4 18985266.02 18434709.83 15453042.54 15368377.37 4-Chloro-L-phenylalanine 1077923022 1016358354 1137154976 1013157901 804022821.8 1277913217 1133496763 733598551.1 1198520187 888849612.8 955191221.1 973172474.7 946175746.4 847253401.1 845758695.2 1100913219 782398490.7 779782910.9 Oleoyltaurine 33759650.7 31261055 14622655.3 14232065.52 59244302.39 20999795.77 26322255.49 20603878.03 9667863.69 67735903.52 21828375.77 27945929.76 22642514.11 26612314.71 32043257.64 33756231.69 41595171 38221643.16 2-Propylglutaric acid 14460730.5 8811792.6 9884750.29 12214752.05 19047218.34 6660020.1 6303605.31 19031213.94 7516700.45 19049165.14 17561536.51 10276665.31 4943575.34 4565475.18 7014778.25 10768377.05 18232429.2 15022896.83 Dihydroxyacetone phosphate 10004856.51 4550282.21 5238895.45 8812081.38 9308058.64 5612869.66 8411636.73 9632226.88 7237504.18 9687016.07 6132910.67 9304232.55 5356979.79 24209287.11 12302776.55 16905873.93 8947882.86 956896.15 3-(3-hydroxy-4-methoxyphenyl)propanoic acid 20878012.11 19700140.18 15212155.38 20974417.29 24066435.08 21979513.48 20654251.66 26443162.82 17955941.69 26268245.94 28709753 27906634.16 24382404.5 24137696.42 27036508.81 23045573.37 34228393.44 31791399.35 9-Oxo-nonanoic acid 42560778.71 65257995.11 71197284.18 97008989.06 50510734 27126883.81 74237137.64 45947342.71 32014763.89 31891596.75 38522571.83 56026758.93 30071329.28 23606721.06 35952889.14 41391626.73 15880421.41 32144694.85 LPE(0:0/18:0) 83710875.03 67733719.6 62808876.89 14417752.4 20492834.48 12826161.6 48109197.89 70177500.61 40972511.48 20575213.93 24371629.23 21515812.4 58389547.44 145063714.4 74922592.55 25385234.94 22114217.94 17733493.56 4,6-Dinitro-O-cresol 66465127.59 75112884.05 71716353.58 76710473.64 118556423.5 92801854.81 74519553.4 98146075.47 63592071.97 121322870.3 99354628.75 106586165.4 97316076.55 114711839.7 98438112.87 311163900.4 128266134.1 129350193.6 9alpha,15S-Dihydroxy-11-oxothromba-5Z,13E-dien-1-oic acid 128312204.5 134147648.2 105147206.1 135687322.2 131029218.2 44072874.39 96245011.42 162138359.2 84028446.45 93647334.06 77459225.85 140927849.4 152789434.1 139575781.9 119159818.3 72265692.99 132955166 124279609.2 10-Hydroxydecanoic acid 18441438.34 12322523.05 9226552.92 12925903.05 14988576.97 28663952.58 14043078.8 20412546.28 9920216.54 15116661.21 14050553.77 13602864.96 24054615.24 18585311.86 14282708.77 13703627.82 15723189.85 20291124.89 Meldonium 11865660.85 14434471.34 15672846.23 20333807.3 22215402.79 16336097.92 11784005.58 24121641.14 21057143.18 22997122.31 22350286.78 26648517.81 30222984.57 18666308.13 30821336.37 18684711.09 31610259.91 27550572.84 Embelin 446433305.2 537424196 303382733.6 338434741.6 360285054.5 273382701.2 269938097.5 200642298.7 878049259.3 266065336.2 634149611.4 886320743.8 312554037.1 495369881.7 1062337781 756277751.8 208163362.6 221295302.3 Uridine-5'-diphospho-N-acetylgalactosamine disodium salt 80524489.56 59838792.98 58158919.21 65191672.82 108986593.3 127083586 101441659.5 84092832.8 105225308.7 93119980.83 110732203 92301083.16 124150064.1 105340677.5 96266389.06 76090457.9 101620257.4 81244190.35 Methylgingerol 6549837.09 2576323.15 546824.77 8197403.48 12250842.64 9686068.43 3802351.61 6493607.1 2752923.2 8765291.44 1218324.1 12010298.21 4580701.52 4588871.37 1384087.26 4722915.93 6831891.33 10704081.68 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 409194.81 781913.79 634618.99 588162.32 1910041.15 1359197.04 1702763.05 1193331.63 2514763.77 1842813.49 3197323.59 1238278.21 1446466.89 444920.95 2415111.73 4445914.25 231326.08 523247.3 1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 31284601.55 38133791.5 50814994.84 36315134.75 35873415.39 31811200.12 9395307.72 17709499.6 15080515.97 30561418.38 8276863.47 8490434.05 35219603.75 24620783.35 24866387.16 50860841.8 32616812.09 26586485.8 Diethyl phthalate 3053491.08 13018521.93 12757886.89 10573855.93 14300843.38 21002983.8 11936898.62 20068121.72 4191617.21 13375249.68 13659377.56 20515215.71 24213864.43 13388153.63 11226358.07 12850309.63 15970785.86 16087279.66 1,2-Distearoyl-sn-glycero-3-phosphocholine 6373777.67 6513927.65 9436964.97 8319882.03 4355447.41 2943635.36 2529944.35 448803.61 5043403.23 6377195.36 9503312.35 2686897.09 2164562.16 1516385.86 2707832.8 6982023.71 22665109.06 26932134.96 5-Acetylamino-6-formylamino-3-methyluracil 24561497 28151158.15 18013165.32 20379544.22 30163349.74 7835762.27 20079941.52 36756268.59 14668982.03 28017864.19 22762813.35 25446577.48 72370944.09 41845734.06 77819658.92 29057006.41 40707150.12 40381570.36 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoglycerol 5690702.4 7220483.79 7279721 4584901.02 5624528.96 5226627.09 1924914.23 665935.04 5759550.98 923897.21 5188309.95 10080897.46 1338988.27 3246111.36 5155288.48 4694347.54 4200233.72 4505852.54 Methylphosphonic acid 2164497.94 11519853.01 16180850.55 14990423.64 4986554.08 7354132.49 3129959.92 16843987.4 14027218.01 10870296.48 12604331.6 10491951.02 7474075.02 2155707.77 720041.96 6341945.12 2530709.15 9789266.99 Phenobarbital 253654673.8 247769008.8 321062912.3 267089482.6 287649255.8 285721338.7 260590530.6 261181595.1 287133734.7 266935703.3 331441151.1 164643283.5 181253219.1 149693033.8 161410323.5 157294486.7 147301500.8 141078041.4 Carboxyphosphamide 3355984.52 3472905.51 3071924.87 3706909.19 4543495.67 2479179.96 3535564.79 4263587.93 3561038.57 2133994 2173272.74 2339859.63 3657627.43 3059631.9 3824239.27 2273082.34 2119895.36 4216725.64 3-Palmitoyl-sn-glycerol 107240408.4 79160773.79 53667499.5 51225039.72 51068244.13 42014057.16 40222977.31 58659352.62 38565474.82 46245945.76 34072028.86 37093605 34782012.89 36019911.14 36963849.11 36453401.26 33062601.28 36904246.53 Phenylbutyrylglutamine 10486020.04 11272681.88 6041558.13 4651977.4 9248859.4 2714938.63 5051791.76 11606950.85 11304198.15 8812558.99 4426041.02 3378314.59 100787017.8 76206981.57 82267651.07 4584406.39 16213247.12 15920888.67 3-Oxooctadecanoic acid 921473.49 619496.86 145340.91 12887509.79 24217992.5 2454143.06 1759684.84 311575.68 469135.67 13692177.53 12265405.66 8420762.68 3449668.35 3329851.3 1091989.23 11165387.07 14313533.19 2828241.32 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine 117507847.9 84369514.49 92034719.7 25105487.58 20219365.86 26817913.16 108204935.6 34410302.38 15619416.97 18341108.32 21119298.85 24494115.27 28690082.4 28328603.8 26086916.52 14353721.21 27466287.08 21987639.42 5-Acetamidovalerate 1667351316 1789081705 925940740.4 743046834 2652067126 859887503.7 1219505084 2218596288 925471650 1349343463 1122022267 1660750205 3062514325 3038956138 2630141680 1297149234 2126244895 1863682632 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 17245669.07 12575032.9 11284016.94 9498308.27 9297707.9 7815442.43 8395418.15 6661606.55 8010183.39 9148256.16 9407428.09 8838243.74 8084618.47 7169096.62 7851500.34 9473659.73 11467965.33 11553211.75 3-Methoxyanthranilate 6440552.14 4482963.7 3117180.05 8940062.08 14958466.58 7664750.13 2989610.39 13895840.49 6025846.99 11725569.29 12653296.49 9041397.92 8106489.04 7830314.88 10340654.02 11728439.7 11476999.72 14737207.34 PE-NMe2(18:1(9Z)/18:1(9Z)) 5952620.61 46903929.81 167147751.5 108022766 49300677.95 108562922.8 37946469.15 28280628.96 30952082.54 34240073.49 25362040.69 38263414.22 51362814.34 29299228.9 26005435.65 38371058.54 27079029.26 29893505.34 Fosfosal 14939200.3 14507502.21 13500662.38 19691161.92 24646201.77 6934583.86 10062773.12 18091717.6 9629612.13 14996667.61 11712652.35 22911042.11 30118325.07 19755668.09 17676900.05 11619518.8 16779182.49 22012215.78 LPE(0:0/22:5) 167496165.3 176542130.7 153306139.3 104227382.7 173031737.3 171606346.4 199543139.8 254081300.3 213688858.4 157366082.2 202537716 190189031.5 185202387.6 289680556.7 174604223.8 162998519 206363686.8 191601126.9 Hexadecenoic acid 25490066.11 23353879.8 18201036.75 26040674.67 26365904.85 16600297.58 20165052.91 25329369.24 15928246.24 19645824.77 22197237.17 13881092.07 41299425.12 9820632.96 22774988.19 17823070.06 23795445.71 31949698.66 LPI(18:1) 41909285.05 184181537.2 31372288.61 197070158.7 19356840.39 24330722.82 14936062.91 43201173.67 191314675.2 47437566.81 21883679.17 20412700.18 14891961.55 179113920.7 41656815.51 132106183.8 15672010.48 17225855.19 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphate 2737828.16 1073556.58 3305663.73 6597244.88 6632698.68 7059650.2 10333092.15 11003260.38 8270813.19 17448265.02 5655541.71 12007203.71 12694839.04 7218533.48 9258434.05 10957972.83 13665359.37 12069988.06 Isoguvacine 1539434523 1555861037 1823463690 1586340313 1438599558 1798364531 1872480719 1288820783 1836936756 1486493352 1532105058 3302524349 1615730293 3046954447 1497740741 1502682235 1526609647 1532190717 Folinic acid 1499015.43 271569.27 546517.02 1016738.95 4808989.23 1336441.13 2777554.45 1698278.42 308732.7 3948386.09 682389.77 4388570.31 2436172.37 2165267.9 1507855.86 4229230.85 2382898.25 3176429.86 2,2-Dimethylbutyric acid 9754955.57 9162269.11 6776314.01 7621357.57 7860794.47 60650867.06 10981943.27 12144163.79 28360791.6 8343392.96 54059798.59 10142645.85 9063278.54 14462009.83 14489458.79 52533144.72 9089722.53 10627297.47 Isoevodiamine 1415047.24 1383055.02 852477.32 1033750.3 3300952.99 397105.19 1023975.42 1072539.12 1100264.6 1411520.87 1365295.49 1257254.81 801354 1697920.65 1600324.88 989794.73 1767900.69 1767893.54 DL-Carbidopa 4047778.31 318354.86 2893142.91 3368839.82 991639.98 676976.24 1402598.81 1147824.39 3946517.09 1179209.76 3263161.56 1724505.56 636206.97 347984.12 884092.78 240420.71 1881859.36 1854381.73 Glyphosate 5503126.8 51862966.28 9111968.09 65244743.31 75961504.68 84299561.18 111901286.7 100235106.7 50795130.47 103557549.1 115600739.8 95396898.84 78697004.2 111404740 71825199.66 122900654.5 138929670 81273314.83 D-Mannose 6-phosphate 8347484.5 9089485.42 8091475.25 63277556.14 19273700.1 7221942.32 9220083.01 15438332.25 6698842.32 12121786.6 9426789.55 9756440.18 20140057.36 7480608.69 5008686.58 12671709.68 27738657.81 27875015.23 Amebacilin 16839305.08 17220221.14 9657847.74 11654102.98 12661760.54 15741226.19 13535938.43 14059756.42 13079781.14 6295163.28 7415816.21 14841857.7 11891447.61 14085139.81 10767860.77 8592041.97 13277389.27 11529036.68 3-(4-Hydroxyphenyl)chroman-7-ol 3544976.94 7326191.99 3990923.45 2256938.24 7134902.82 3268871.91 4286360.03 5933397.78 1728503.59 10694376.97 4864511.74 7835948.86 7088744.77 9628910.22 7346523.97 6037203.95 8092768.79 6886790.31 Didox 64750414.8 54001692.17 63890111.59 33037968.29 60861296.28 51425752.21 50385344.71 61741750.71 53210666.81 55848189.93 59514431 52997243.41 62845751.85 61935182.53 60221602.91 58542322.35 53222407.78 51897525.11 Pinolidoxin 8004147.78 13621628.69 4668966.71 4308194.34 17689862.14 2740632.27 5093845.48 17820267.18 2944246.78 18714653.97 8133335.27 5392487.71 14957258.72 19358069.47 30661369.57 9874082.69 34222628.51 31871803.4 Clopyralid 32548768.06 39577799.52 41619661.23 39513517.61 53121022.93 51645992.02 38216204.53 45352414.69 42302899.37 71108701.4 49288431.14 57128087.49 60584191.68 53561454.45 53509785.5 74944739.51 78471531.47 65061542.51 4-Chloro-2-methylphenol 296920950.2 225953827.2 114203553.9 183891118.7 240752804.5 374633344.6 320972437.5 177491576.8 134074249.6 127262357.7 177867667.9 177782208.8 120423800.1 199415865.1 106620401.3 138342934.9 166568468.1 547350276.8 4-ene-Valproic acid 65009346.87 44969316.32 46041142.32 166337157.4 252722460.6 98119713.44 106784208.7 45874667.96 31998408.18 106218498.9 83956175.28 68288686.56 129086071.9 85551057.46 55914419.52 81657830.05 72792528.69 20236387.33 LPS(18:1/0:0) 233078584.3 646082795.6 132153757 266727317.2 285488707.8 366577774.8 269058022 691241694.5 900726595.2 97271514 541643619.5 480234755.6 360254822.1 107672826.5 2193261134 1050392314 184149734.7 195601527.7 1-Palmitoylglycerol 3-phosphate 17347341.88 18275535.96 13485225.16 14830783.8 33469384.95 10196400.64 2134335.15 29390615.02 12381296.36 24032555.11 15676066.97 21186008.7 11997083.58 18916035.87 19571047.12 12017047.66 26682024.55 27911638.7 3-Isobutyl-1-methylxanthine 190513872.7 140078233.8 85357469.81 125884257.5 152139442.7 46967676.42 117690020.4 160541981.2 70919852.51 89082707.8 79160033.87 115491695.2 218928186.3 97609951.39 162656274.6 68476491.71 116598746.2 113645557.8 spiperone 2514743.24 7434270.21 7824757.09 10305366.54 10875686.19 3346588.24 4254450.98 4602420.94 4286183.5 14820859.91 9293731.61 41769137.37 231711.32 6542077.18 8150492.09 8369792.86 3967566.5 584260.23 3-Aminocaproic acid 3889395.23 6715052.44 3737849.94 7228769.62 31877853.21 2313291.37 4991567.58 34245305.26 3762389.57 8227426.94 8216670.56 6567804.11 4122219.91 4771788.39 7675808.92 7142932.71 12074559.74 12812913.62 1-Hexadecyl-sn-glycerol 3-phosphate 3897275.85 2013668.35 3581037.83 2073421.24 2963329.7 3094321.96 6366599.38 2937356.82 2628716.15 1119730.02 4386900.74 3273149.8 4007787.4 5240359.97 4856344.38 5121993.05 3302416.42 3457291.64 Phosphatidylserine 7630381.62 20250848.11 23517480.02 25119605.59 16609952.77 21279063.81 11869937.64 10260384.35 18618912.45 5748634.87 5326684.45 28530405.19 8924657.1 5380184.92 3715743.33 11660472.05 6598682.66 7546308.03 LPE(0:0/20:5) 158393816.6 135262988.2 132574458.2 55326474.05 73683440.32 63173366.46 137997283.2 199982837.6 146198888.6 96146767.42 110181047.9 89629614.46 162129446.1 285663832.5 180496459.2 88733364.88 117225383.5 108359462.5 Dihydroartemisinin(DHA) 326615283.9 307168163.9 367356126.8 979124307.5 840546536.9 673982747.1 207196915.4 150295542.3 1488077352 794846544.4 626093761.3 966129749.1 393323377.7 157450508.7 386991050.7 518548266.5 256362918.1 287349205.9 1,3-Cyclohexanedione 29901237.92 28310635.57 38256135.46 26931278.55 20757003.28 27316493.68 20288969.7 27450453.72 39836982.18 28940571.56 20500006.24 17939165.1 14918045.73 20004304.25 18962472.77 24234107.58 163694556.5 56623447.5 Fingolimod phosphate 2817229.06 1511383.15 841155.48 563985.57 229357.75 1957427.56 2033255.33 246849.43 537927.18 5202733.55 6869520.21 4485467.14 1613730.84 992582.94 782570.89 1683153.49 1322339.6 4298987.54 Uridine-5'-diphosphogalactose disodium salt 3212588.91 1647459.41 4851150.76 2642686.82 299402.08 6137539.23 2259630 156082.84 4926821.67 1315325 707172.31 597241 439024.84 1240281.57 182500.23 2026901.64 799732.57 1307071.1 6-Thiouric acid 27377138.08 34272470.25 29414400.09 26328627.16 41459569.4 36235161 45807344.3 36973276.36 31941210.01 45458911.91 41283329.79 57472028.16 39354409.47 59176612.55 33367934.23 55749682.67 58488146.19 77796686.58 Repaglinide aromatic amine 1905808.12 3435906.94 2957278.27 3503223.14 1467338.35 1979345.08 3973100.87 10507897.26 5611842.26 4500040.8 1421304.85 7001215.93 5526638.35 7153977.05 6592929.01 2930552.68 9318173.47 7189370.16 Acetamiprid 9030334.25 13351897.4 8866884.13 9636738.51 8763219.96 11967008.68 7760762.98 7514260.85 7830162.26 8239689.92 31109825.44 15974553.64 6675122.6 7997890.23 7761451.67 5100565.45 7255039.46 8198868.34 2,4-Dihydroxybenzophenone 19803246.19 13247671.74 20669298.51 8885154.3 4397239.18 25068375.16 22182221.46 5939191.1 20500949.91 9145695.46 8141234.39 6953212.72 6555155.44 5921698.85 3222015.11 3282136 5587834.03 6716738.11 Indoprofen 7387392.38 5513419.94 4313976.83 2060272.66 10752954.93 3677952.35 5466571.08 4094032.11 11650304.43 18681754.7 20062103.49 17180110.87 3787824.81 6015291.13 5894557.83 6190786.6 7463345.79 14686224.42 Piperonyl butoxide 8218371.69 5158727.72 3046025.32 1846967.58 2593283.26 2654663.7 5071486.89 3333629.3 5737305.14 5714157.87 1833560.63 2820261.47 5894716.81 2174470.79 7149269.95 3153931.18 3232301.63 1122031.19 11-Hydroxy-THC 6148308.84 5186562.44 5788917.45 4058330.44 5689336.4 5703220.8 5279888.61 7006251.35 3572679.2 3627975.99 4819006.22 4953726.11 930645.33 4786620.11 3418387.48 6271636.4 4058614.17 5092789.79 Dichlorprop 458959147.3 457262393.9 340269572.3 299908203.5 306257288.8 257378755.4 261798660.7 248938312.7 175913679.8 216604489.7 216111319 233061895.5 210897471.8 161879178.1 215572505.5 179852918.6 178159940.5 196089128 Fosfluconazole 3547197 2720012.02 806199.25 8199092.14 16074198.24 3671885.57 349464.52 4061701.49 815870.86 15778862.93 10694724.27 9108179.18 17661879.75 21644222.64 26359286.63 14303558.07 23098750.37 20174258.1 Dicamba 106435958 99789291.47 106146844.2 118928164.6 86461421.61 127298751.8 129927387.6 82829977.41 126264058.7 103024066 93823065.09 96130202.03 99804500.12 89235705.38 94119824.14 95052104.61 92464363.17 93604505.72 Imazethapyr 16027073.53 13052524.57 4620769.28 3071575.28 2385439.74 7892049.9 15223962.5 5621243.66 4448691.19 17850864.83 20723948.49 16444054.08 3472689.25 7223385 204603.25 11775689.19 1972420.65 1192783.89 D-Pinitol 4683996.51 3235624.43 816108.38 9819411.96 42366579.52 7183945.02 5168909.28 149924824.7 2968701.31 25327274.24 20449320.08 16300094.44 7901069.56 94193103.3 18995606.82 19850234.16 13964014.99 10812496 Sapanisertib 7857029.27 5668567.71 3689137.57 2246438.87 2009794.2 454897.76 5007852.67 4322406.56 4551867.12 3695129.86 1887394.8 1818661.47 11075075.82 29211284.04 6794997.98 3046259.45 2806056.16 1950453.23 thiamin-PPi 599842887.5 572722519.3 583661881.5 586333863.1 556441054.4 613529776.4 606342452.8 546749606.7 605144034.3 527647962.3 518971417.3 518959893.2 493868864.3 479775341.9 451421093.5 505363886.5 493540881.9 464525854.8 Flibanserin 16779255.54 19698277.4 9546648.62 3212872.04 17085024.85 4675055.2 27455137.38 29030365.81 12565306.53 1500872.82 8899304.78 7194718.89 36287482.99 16798940.13 32515263.09 6117444.34 9474491.74 11302162.64 (Aminomethyl)phosphonic acid 325751.67 1058387.13 318207.75 4507944.81 3579830.14 537032.72 4834730.81 47664708.77 4500282.08 6506006.84 5563448.72 5739103.98 12181201.74 70354656.01 7580493.31 5779276.49 46882904.87 47267358.56 2,4-Dihydroxy-nitrophenol 9970288.8 14513031.08 7874549.4 15171390.23 26688462.31 6409846.58 10165491.12 19214833.53 8168195.44 19753552.73 16142289.07 13720679.42 11141980 10639016.65 16463147.68 15139454.55 22061732.68 20407609.44 Febuxostat 95921079.25 101501639.1 66532628.22 46183668.07 145383980.5 74302026.12 75557760.24 105384303.5 64030290.73 80233513.04 156444398 106640349.7 118159894.8 135815732.9 74871852.98 94016396.25 88701993.74 94868001.64 Phenol glucuronide 1490442.55 1982484.17 1155708.57 1556034.01 344226.72 1844919.81 1807599.3 1936987.74 1400934.47 578835.25 765225.5 1204422.52 2475130.44 3405049.45 4434267.26 1252658.22 2242458.92 2977025.49 L-Tryptophan-L-glutamine 602903.95 440977.22 107952.47 3119465.27 9393418.03 1870551.83 370872.64 9863778.62 122880.65 4753806.88 15606083.7 2863818.17 1762024.62 3883561.38 2302283.67 4304812.46 26161898.82 5238071.09 Dextrorphan, Antibiotic for Culture Media Use Only 15321088.6 16821023.66 19099308.78 16288916.08 17539454.14 20368992.53 19063907.95 16081885.15 20924464.75 13487880.57 15090592.54 24124034.21 19632033.53 16064834.09 15761287.19 18858872.92 17222832.37 15421449.37 3-Oxopentanoic acid 52466504.83 50580881 49192249.46 44513833.03 46374571.97 51950362.01 48021350.89 45248520.77 140662979.1 47568214.55 45840744.66 46489432.86 31416036.25 63158790.88 37562324.87 52838525.79 50030686.62 37280021.02 Bis(4-chlorophenyl)acetic acid 15579917.23 1852835.47 14193147.25 6807697.54 6212282.01 18211019.3 2301817.89 3414730.58 17659913.27 5117365.41 2056284.45 1816892.9 1708686.09 4142292.56 2310961.6 3506582.75 547352.23 2410761.51 Tramiprosate 696440.28 3508504.14 261293.96 3480470.34 11923872.81 509918 1780459.27 40768457 1760499.97 9562689.6 8000489.89 4939124.08 2620233.23 54288337.42 17497272.17 7534088.09 20849319.43 21368878.13 LPS(18:2) 4510283.5 3411976.8 2694231.6 2497194.27 2146649.25 438939.05 2559087.33 3573227.13 1574991.83 2709011.69 3158665.98 924821.27 897828.94 20231874.65 6038966.1 2564935.62 894335.72 553661.96 Tetrahydroharmine 51793599.8 53918051.82 44002917.87 54398857.45 66205210.2 76527595.92 45501866.24 61246921.04 52667359.2 83738066.64 75086609.77 92369256.04 63113918.22 78916763.79 61471702.14 92182852.75 79701492.88 93966879.96 3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate 288249.97 202578.24 695843.39 2400696.2 2847767.31 846942.93 908663.56 642288.03 559433.85 3572953.41 3210595.88 501384.12 993868.5 334433.72 384220.74 3014419.8 6352018.84 5233723.34 4'-Hydroxyflavanone 6467857.11 24683545.89 7914756.91 7566338.02 2345009.9 6762756.23 9407383.52 5063080.01 11333480.17 13196042.43 4774391.99 5333000.63 3422937.82 3545516.66 4747713.35 3737740.34 4842170.21 13821335.86 Alizarin 61667001.49 52956260.34 74856300.15 83577996.83 53735819.43 11576589.02 29644194.65 10199734.87 11546275.16 52145829.69 50913152.71 8815236.17 22122132.34 58135860.87 55816117.84 19051802.41 8472279.73 49360074.55 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7547937.61 2737124.06 6199885.7 5546024.69 4919000.82 2871958.8 4442862.03 4064576.03 4213889.34 1434324.33 1601551.45 5538395.18 5870194.21 7358926.21 6967017.37 2304828.92 7061975.67 6595461.22 Lonidamine 1303337.11 4369108.59 537608.02 2240084.5 8638267.27 1674697.25 1932731.62 9755356.94 2102064.22 6387137.93 4572793.68 4730485.69 5986300.92 7800938.22 11331955.06 2650854.95 9616355.5 14319314.63 2',4',6'-Trihydroxydihydrochalcone 13223052.32 11985334.74 10954006.17 11844939.42 9912296.34 9032328.08 5449871.72 4759775.49 26252698.76 13840811.28 2475829.56 19721295.89 11079231.61 6555249 2581149.36 4595209.57 6774532.41 16289658.73 (3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid 12078125.44 16939340.32 5205976.02 73139467.04 121615725.2 22689089.4 16046195.56 76354198.23 10602237.51 96895334.39 82044832.68 34731128.3 20356115.39 33470449.39 28162461.68 80562380.48 186542968 36128441.24 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 16693831.56 28658126.51 99934990.05 38651427.97 26096277.51 39434482.59 23459848.82 40942377.18 45052972.3 12749567.64 11351452.4 60898822.08 16708043 19985033.17 13405182.87 11260991.64 11769401.12 25226869.8 6-Hydroxybuspirone 1958102.72 2838444.31 1246350.74 794978.57 427870.68 517365.65 2114915.17 4098259.39 1420192.98 204750.99 1172261.1 916113.19 6432299.31 6143724.52 7652432.44 1081045.04 254094.17 898082.59 Nimustine 1857938.1 1080171.94 295573.97 3567006.82 11287928.14 2768768.58 399503.02 3059014.03 1662476.57 7180833.76 1022396.35 907360.1 945624.58 528489.03 1945310.29 4309150.97 5179706.69 2838415.07 N(4)-Acetylsulfamethazine 5274036.25 5022323.17 917451.55 1628156.57 2290687.06 3243942.9 2178946.48 1622719.17 363236.52 7988365.74 4966531.05 3936291.03 766544.15 3115366.66 2163455.13 7483023.54 6229771.41 3462946.8 Picloram 6109200.63 12300012.77 12446258.15 23199678.81 13463919.98 14479761.3 8409518.45 16437802.09 8895948.92 24167395.6 16995900.33 14723136.33 19913546.4 3815665.12 14503424.96 23831648.22 20089708.42 21043522.76 1-Myristoyl-sn-glycerol 3-phosphate 8037236.8 8684300.53 4194539.31 3634355.78 3290853.53 4433065.41 5469293.84 9993416.97 5131756.87 4585393.51 3536302.35 4869878.8 7253802.54 6689264.17 6699357.02 4435460.64 6773015.37 8240616.06 Bentazone 143061377.6 109923066.2 113609517.5 133422819.4 118257651.5 82324401.09 109999614.1 114413989.9 107203399.7 90915560.05 70545616.66 110636521 135265029.5 108735539.1 76805015.88 86366200.55 95790606.92 89564730.27 3',5'-Dihydroxyflavone 3790778.03 4357356.49 4591094.17 5435057.61 4681491.62 3186222.54 3623039.98 2305304.3 3316716.12 3817803.23 2639446.28 4289678.1 3021079.04 1596348.51 2466079.99 4495938.2 2429554.52 2761715.24 (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one 7748702.41 10186806.5 10686606.57 12024430.22 22454892.72 46542392.73 51124358.1 39157196.49 18173963.08 26628830.75 16977189.45 52281209.81 12146034.71 8587143.19 10358340.31 14248927 12531716.38 11214003.22 Fenspiride hydrochloride 223564767.6 191132174 118300417.9 71104786.2 71875755.61 31339356.28 158824363.1 194148768 106445808 51236011.27 43986388.81 63907015 256089636 82692970.51 183192097.7 36733786.3 61185263.27 108873345.8 N-Undecanoylglycine 798791127.7 819638001.5 778898415.9 627289703.2 764104355 741740082.2 1218101763 1026327542 966129046.6 755710126.5 812792404.8 815671054.3 884735962.1 699218535 1029183800 756929682.2 699200009.7 671137665.4 Propyl 1-(propylsulfinyl)propyl disulfide 88598333.47 85953688.13 78221729.96 102288984 90192231.01 69197759.08 74665137.34 95482433.82 76714373.15 78081381.43 76354384.6 82239487.16 88490051.84 71478958.54 82451552.21 69209040.55 84691602.03 103874424.7 Semilepidinoside B 96482776.66 92073861.38 60957640.46 56359737.01 144399219.1 53392309.25 57856940.64 87751643.44 44183931.04 84551632.49 89353422.49 86103648.33 98158572.33 58287258.81 110878407.2 67104689.43 99867184.36 101612733.7 N-decanoylglycine 38664955.57 37482571.15 33670305.24 32856503.5 37072436.1 36330089.47 124330919.1 176286849.8 76210778.93 36807837.28 38569587.63 42225308.58 47666755.33 39598072.59 43705518.67 39820640.94 31426921.68 38317838.88 S-3-oxodecanoyl cysteamine 54677391.75 34511551.58 17334520.48 25868651.75 63373257.67 11335378.22 23834011.23 79986287.87 15229196.79 52013049.6 31038127.11 29408953.68 93431712.67 113431188.3 113245306.8 37593011.13 61456829.43 43168127.67 [2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 46635347.41 30500840.82 24971069.25 73011544.28 54058876.88 22527637.67 39861053.45 83347018.55 21570375.4 16143477.14 11033773.18 34439782 79069634 63160196.84 9059474.52 31316809.17 42617898.31 11333546 Carnitine C16:1 314364615.5 272431302.5 270284222.5 277623003.9 261496124.6 278704291.7 276817657.6 254668718.3 282052452.6 258083160.8 251410523.9 249439418.2 249073927.9 169774980.3 240548536.5 237213547.8 229313425.8 235267748.9 Demanyl phosphate 1036278244 878720357.2 942153635.6 1008062396 876421628.4 1081840944 956626387.1 751113306.7 1098569191 907642945.1 890973973.7 913565514.6 904992578.8 630831406.3 766460104.8 954071721.6 786962285.8 787704124.1 6-Hydroxymethyletoricoxib 212206380.2 183250051.4 171405386.8 65430941.35 71802575.17 104133948.9 47497235.97 54910260.91 36363332.35 51783702.3 39028094.36 74484999.09 223486795 191831936.8 238216419.9 51120550.79 56279140.38 223104896.7 12-Oxo-20-trihydroxy-leukotriene B4 5724596.1 5788988.77 3259072.32 3078977.47 4423734.13 1960751.47 3011942.22 8232765.36 2975030.06 2834279.69 3641612.48 3324050.7 4543812.04 3065592.18 5522606.42 3219551.69 7791245.74 7931751.19 Cyclohexene, 4-methyl-1-(1-methylethyl)- 1609651531 1633095262 1754981079 1517256981 1284516756 2103463254 1825956616 1138550064 1795557703 1413057842 1566296459 1672797241 1243446680 1126682354 1229599787 1645982135 1201091455 1194465010 N-(3-Aminopropyl)-4-methyl-2-nitrobenzenamine 2400416431 1689262272 2096557788 2269328167 1327173819 2306011698 1988428621 1287416644 2138482152 1471354713 1583580821 1675265169 1565422640 1372801621 1486911708 1857843046 1203345061 1264811054 1-Pentadecanoyl-2-docosanoyl-glycero-3-phosphoserine 808965.98 8481660.18 10286067.15 11699972.67 12889158.76 10408431.02 10414152.49 8756786.84 9740958.33 9293644.15 9919654.6 7739127.97 12165089.37 7697594.63 7914061.87 8152931.51 7943035.91 5884514.83 Clofentezine 3883986.27 3834714.98 3297373.65 5808764.9 6331196.21 2136579.32 3180357.36 4406925.4 2877509.13 5633757.18 4283243.48 5316215.53 5769420.34 4630719.96 4129031.16 4879019.93 5022579.46 5671207.53 Isotabtoxin 7176961.26 6066082.41 2740061.25 3735187.82 8175224.66 1714029.82 2984677.43 8437432.66 1360785.65 8669932.17 6318604.68 3758747.39 16671637.49 8484844.06 10027935.85 6674003.23 11030371.94 20771184.76 N-(2,4-Dinitrophenyl)ethylenediamine 7893214.38 18242460.47 5074693.02 7175991.04 10620996.81 1321104.57 8497939.17 19993529.52 4407561.47 9272599.27 8938362.17 6754961.81 26745276.24 13734785.31 20479905.56 9382686.55 9409432.18 10806887.37 1-Methoxypyrene 1240394.95 711050.78 782797.61 1180970.48 1662960.63 736171.47 903571.51 2745422.22 1311864.6 486230.92 1022364.79 1127137.99 1747712.92 2199789.2 1850222.45 692157.26 4378693.51 4896485.46 2,6-Dimethoxyphenol 7959033.58 1218086.57 6943597.65 7083995.89 3961258.05 2601687.42 4775823.74 1795458.89 7379381.03 6574311.81 7905127.68 6962471.79 1997474.13 1060235.39 3179339.51 7668642.62 4220529.03 4194995.23 PE(P-16:0/20:2(11Z,14Z)) 6078174.18 5472820.76 4206055.63 4919576.13 4848410.08 615511.49 3810578.55 5591855.2 6425521.5 7145371.49 6836587.32 4368855.47 8686727.87 8546664.4 5892362.74 5608943.81 5932948.32 3722601.92 N-(4-coumaroyl)-L-homoserine lactone 6292385.94 466234.4 1580621.21 3320634.67 4693206.06 5861018.72 3952995.34 11672845.21 6062548.07 4044688.2 4069588.39 5491118.34 8785281.53 15049068.29 9044350.06 3029876.72 11116897.08 12164012.59 PG(18:0/18:3(6Z,9Z,12Z)) 3543991.68 683548.37 1945006.39 4623789.9 5767895.15 7685399.2 14386905.25 8455550.21 9786839.77 7228713 7526388.51 13916060.46 10971919.22 17131392.71 12576260.87 11869082.02 11210964.37 10483144.46 1,2,4,5-Tetrachlorobenzene 72917275.44 89567518.2 67681762.55 91799943.44 77010854.25 42916674.07 72834962.34 77392900.12 62232950.62 79832161.91 81146443.6 82597173.31 68469639.56 55804406.26 57746795.71 78831658.97 62123121.31 68396523.75 Thiocyanic acid, p-aminophenyl ester 15144819.6 12597949.98 8611166.3 32479758.6 15964608.81 7348488.9 5836374.86 11027330.19 17241305.05 8883583.23 9606723.38 15835621.98 18942935.6 10021128.6 23591426.78 9129404.41 24566032.49 13225387.76 (9S,10S,12Z)-9,10-Dihydroxy-12-octadecenoic acid 170020956.7 121172551.8 95227607.04 201968645.7 192918306.2 64237788.03 172402257.8 113960809.9 93527710.99 160967628.6 155996242.9 119840250.5 277575766.4 39949598.55 118094642.4 132239771.9 158441566.2 53517943.44 Octadec-9-ene-1-carboxylic acid 6056637.39 1489051.02 6295151.3 10465793.98 30265637.08 21998624.66 6886479.95 33435543.07 7909289.39 11088361.08 21137592.6 18062322.15 16570902.78 64592469.63 12739003.94 16410184.58 39359056.8 11911894.2 (5S,6R,7E,9E,11Z,14Z)-6-[(2S)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid 10151836.97 10850306.97 4932188.95 12586177.52 15829497.77 4985402.43 11742857.09 3085836.16 3063484.16 11395421.32 13000612.19 7394433.05 6529994.46 3791454.13 1226403.97 3476168.77 4130757.9 11555496.48 (3Z)-2-Propylpent-3-enoic acid 18527735.76 25445804.23 18796109.16 25186503.56 30844230.33 18795220.83 18389688.91 29415178.95 17566512.24 27099206.49 26535263.42 22346424.5 18045121.59 19888892.5 24133310.27 23552341.24 29176285.36 28568537.4 5-(7-Acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl)-2-methylpenta-2,4-dienoic acid 5222038.35 9605739.33 3550870.9 5550806.41 7376143.85 2769671.25 5157363.38 13136461.02 3052798.86 9344489.43 9601647.13 8620145.09 6024605.56 14067565.94 6870659.12 8279758.65 14295486.41 7454359.97 LPE(22:5/0:0) 4443366.77 8791614.62 7330940.87 6136310.12 13304364.36 3333372.47 7022458.7 39434323.34 6166732.87 10630113.5 9130795.06 9957781.14 9406645.3 10480102.62 8246101.64 9157303.97 14719867.91 7102631.53 Tyrphostin A25 1231655.58 655107.69 443780.24 969515.87 2128627.81 1530486.2 984773.16 968949.43 1204719.88 1116198.54 749728.25 1953660.54 936696.75 653702.68 2487197.15 977182.49 406166.36 944047.05 Cysteinyl-aspartate 101352228.7 95158614.01 70778081.16 50501684.45 70527161.37 56225528.48 84983915.98 95368525.83 89615378.1 69813496.81 64707901.94 50445676.13 352607989.5 404035182.9 382860716.9 66916119.59 66955320.95 75253275 2-[(2-Amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoic acid 9763503.24 7573089.88 4909270.86 3998750.85 7638808.29 3119287.65 6751970.14 10735805.41 4797756.35 7326379.43 6464875.51 5274907.25 15988030.1 20563658.05 20937114.46 7508085.59 8469451.67 7599439.45 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem CID kegg_map Adenosine monophosphate 6083 ko00230,ko01100,ko01232,ko01240,ko01523,ko04022,ko04024,ko04068,ko04150,ko04151,ko04152,ko04211,ko04740,ko04742,ko04923,ko04924,ko04925,ko04927,ko04928,ko04934,ko05012,ko05022,ko05032 Uridine-5'-monophosphate 6030 ko00240,ko01100,ko01232,ko01240 Citric acid 311 ko00020,ko00250,ko00630,ko01100,ko01200,ko01210,ko01230,ko01240,ko04742,ko04922,ko05230 Azelaic acid 2266 - L-Tryptophan 6305 ko00260,ko00380,ko00400,ko00970,ko01100,ko01210,ko01230,ko01240,ko04726,ko04974,ko04978,ko05143,ko05230 Adenosine 60961 ko00230,ko01100,ko01232,ko02010,ko04022,ko04024,ko04071,ko04080,ko04270,ko04923,ko04924,ko05012,ko05032,ko05034 N-Phenylacetylglycine 68144 ko00360 FFA(16:1) 445638 ko00061,ko01100 Suberic acid 10457 - 4-Nitrophenol 980 - 5'-Deoxy-5'-(Methylthio) Adenosine 439176 ko00270,ko01100 L-Aspartic acid 5960 ko00220,ko00250,ko00260,ko00270,ko00340,ko00410,ko00470,ko00760,ko00770,ko00970,ko01100,ko01200,ko01210,ko01230,ko01240,ko02010,ko04080,ko04974,ko05230 L-Glutamic acid 33032 ko00220,ko00250,ko00330,ko00340,ko00430,ko00470,ko00480,ko00524,ko00630,ko00650,ko00860,ko00910,ko00970,ko01100,ko01200,ko01210,ko01230,ko01240,ko02010,ko04068,ko04072,ko04080,ko04216,ko04540,ko04713,ko04720,ko04721,ko04723,ko04724,ko04727,ko04730,ko04742,ko04964,ko04974,ko05014,ko05016,ko05017,ko05022,ko05030,ko05031,ko05033,ko05034,ko05230 Adenine 190 ko00230,ko01100,ko01232 Leucinic acid 92779 - 4-Ethyloctanoic acid 61840 - Inosine 135398641 ko00230,ko01100,ko01232,ko02010 FFA(19:1) 5312513 - FFA(18:1) 445639 ko00061,ko01040 L-Lysine 5962 ko00310,ko00470,ko00780,ko00970,ko01100,ko01210,ko01230,ko02010,ko04974 Cholic acid 221493 ko00120,ko01100,ko04976 Hydroxyphenyllactic acid 9378 - Indole-3-carboxaldehyde 10256 - Guanosine-5'-monophosphate 135398631 ko00230,ko01100,ko01232,ko01523,ko04022,ko04740,ko04742,ko04744 LPE(18:1/0:0) 53480949 ko00564 Vanillin 1183 ko01100 Tauroursodeoxycholic acid 9848818 - Uridine 6029 ko00240,ko01100,ko01232,ko02010 4-Hydroxybenzaldehyde 126 ko01100 FFA(11:0) 8180 - Butylparaben 7184 - FFA(14:0) 11005 ko00061,ko01100 Pyroglutamic acid 7405 ko00480,ko01100 Salicylic acid 338 ko01100,ko04976 Undecanedioic acid 15816 - Arachidonic acid 444899 ko00590,ko00591,ko01040,ko01100,ko04216,ko04217,ko04270,ko04611,ko04664,ko04666,ko04723,ko04726,ko04730,ko04750,ko04912,ko04913,ko04921,ko04923,ko04925,ko05140,ko05146 cis,cis-Muconic acid 5280518 ko01100 Taurocholic acid 6675 ko00120,ko00430,ko01100,ko04976,ko04979 FFA(13:0) 12530 - DL-Glyceraldehyde 3-Phosphate 729 - Geranic acid 5275520 - 12-Hydroxydodecanoic acid 79034 - FFA(10:0) 2969 ko00061,ko01100 1,11-Undecanedicarboxylic acid 10458 - Glu-Leu 9813855 - Uridine diphosphate glucuronic acid 17473 ko00040,ko00053,ko00520,ko01100,ko01240,ko01250 Pyruvic Acid 1060 ko00010,ko00020,ko00030,ko00040,ko00053,ko00250,ko00260,ko00270,ko00290,ko00330,ko00350,ko00360,ko00430,ko00440,ko00470,ko00620,ko00630,ko00650,ko00730,ko00760,ko00770,ko00785,ko00900,ko01100,ko01200,ko01210,ko01230,ko01240,ko04066,ko04152,ko04911,ko04922,ko04930,ko04931,ko05230,ko05415 Glycyl-L-tyrosine 92829 - Hexadecanedioic acid 10459 ko01100 Tetradecanedioic acid 13185 - 9-Decenoic acid 61743 - Isobutyric acid 6590 ko01100,ko04974 Methylparaben 7456 - Ketoleucine 70 ko00280,ko00290,ko00785,ko01100,ko01210,ko01230 L-Serine 5951 ko00260,ko00270,ko00470,ko00564,ko00600,ko00630,ko00920,ko00970,ko01100,ko01200,ko01230,ko01240,ko02010,ko04071,ko04974,ko04978,ko05230 Traumatic acid 5283028 ko00592 12-Hydroxystearic acid 7789 - Guanosine 135398635 ko00230,ko01100,ko01232,ko02010 Monobutyl phthalate 8575 - LPC(16:0/0:0) 460602 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 4-Methyloctanoic acid 62089 - Valeric acid 7991 - Xanthine 1188 ko00230,ko00232,ko01100,ko01232 Xanthotoxol 65090 - 3-Hydroxyvalproic acid 134459 ko00982 5-Phenylvaleric acid 16757 - Uridine-5'-diphosphate 6031 ko00240,ko01100,ko01232,ko01240,ko04080 Tropate 10726 - Gemfibrozil 3463 ko05207 Benzenebutanoic acid 4775 - 9(S),12(S),13(S)-TriHOME 9858729 ko00591 Ureidoisobutyric Acid 160663 - Canrenone 13789 - Hippuric acid 464 - 4-Methylvaleric Acid 12587 - Adenosine 5'-Diphosphate 6022 ko00190,ko00230,ko01100,ko01232,ko01240,ko04068,ko04080,ko04142,ko04152,ko04611,ko04714,ko04742,ko04924,ko05012,ko05014,ko05022 p-Coumaraldehyde 641301 ko01100 Pimelic acid 385 ko00780,ko01100,ko01240 2-Methyl-4-pentenoic acid 549519 - 2-Methylheptanoic acid 14475 - Erythrose 94176 - Hydroxyoctanoic acid 94180 - Pyridoxal phosphate 1051 ko00730,ko00750,ko01100,ko01240,ko04977 3,4-Dimethylbenzoic acid 12073 - 2-Methylhexanoic acid 20653 - L-Alanine 5950 ko00250,ko00270,ko00430,ko00450,ko00470,ko00970,ko01100,ko01200,ko01210,ko01230,ko02010,ko04122,ko04974,ko04978,ko05230 3-Methylcrotonyl Glycine 169485 - N-Acetylleucine 70912 - N-Methyltryptamine 6088 ko00380,ko01100 Levulinic acid 11579 - Sarcosine 1088 ko00260,ko00330,ko01100 Undecylenic acid 5634 - L-Histidine 6274 ko00340,ko00410,ko00470,ko00970,ko01100,ko01230,ko02010,ko04974,ko05230 Norvaline 65098 - Succinic acid 1110 ko00020,ko00190,ko00250,ko00310,ko00350,ko00360,ko00620,ko00630,ko00640,ko00650,ko00760,ko00920,ko01100,ko01200,ko04024,ko04727,ko04922,ko05230 4-(2-Hydroxyethyl)-1-piperazine ethanesulfonic acid 23831 - Gamma-CEHC 133098 - 4-Propylphenol 12580 - Hydrocinnamic acid 107 ko00360,ko01100 Pogostone 54695756 - 2-Oxovaleric acid 74563 - Trolox 40634 - Glutamine 5961 ko00220,ko00230,ko00240,ko00250,ko00470,ko00630,ko00750,ko00910,ko00970,ko01100,ko01230,ko01232,ko01240,ko02010,ko04724,ko04727,ko04964,ko04974,ko04978,ko05230 4-Hydroxycyclohexylcarboxylic acid 151138 - Fructose 5984 - Methoxyacetic acid 12251 - Isodeoxycholic acid 164672 - urolithin B 5380406 - 14,15-Leukotriene C4(ExC4) 42607491 - Sclareol 163263 - Dibutyl phthalate 3026 - (r)-3-Amino-4-methylpentanoic acid 2761558 - Orotidylic acid 160617 ko00240,ko01100,ko01240 Isopentenyladenine 92180 - Palmitoylethanolamide 4671 ko04080 N-Acetylglucosamine 1-Phosphate 440272 - O-acetyl-L-serine 99478 ko00270,ko00920,ko01100,ko01200,ko01230,ko04122 N-Acetyl-Neuraminic Acid 439197 ko00520,ko01100,ko01250 Uric acid 1175 ko00230,ko01100,ko04976 Theophylline 2153 ko00232,ko01100 Pentitol 827 - Xylitol 6912 ko00040,ko01100,ko02010 2,3-dinor-8-iso Prostaglandin F2α 9548881 ko00590 Docosahexaenoic acid 445580 ko01040 3-(Methylthio)propionic acid 563 ko00270,ko00920,ko01100 N-Isovaleroylglycine 546304 - prostaglandin B1 5280388 - Oxypurinol 135398752 - Adenosine-5'-triphosphate 5957 ko00190,ko00230,ko01100,ko01232,ko01240,ko04020,ko04066,ko04080,ko04142,ko04148,ko04217,ko04611,ko04621,ko04714,ko04721,ko04742,ko04750,ko04911,ko04917,ko04924,ko04930,ko05012,ko05022,ko05133,ko05410,ko05415 Tiglic acid 125468 - PGF3α 5280940 - 2,4-Di-tert-butylphenol 7311 - Methionine 6137 ko00270,ko00470,ko00970,ko01100,ko01210,ko01230,ko01240,ko01523,ko04148,ko04974,ko04978,ko04980,ko05230 Isovaleric acid 10430 ko04974 Succinylacetone 5312 - Cytidine-5'-triphosphate 6176 ko00240,ko00515,ko01100,ko01232,ko01240 Biotin 171548 ko00780,ko01100,ko01240,ko02010,ko04977 prostaglandin B2 5280881 ko00590,ko01100,ko04726 Xylose 135191 ko00040,ko00520,ko01100,ko02010 D-Glucose 6-Phosphate 439284 - Caprylic acid 379 ko00061,ko00785,ko01100,ko01240 5,6-Dimethylbenzimidazole 675 ko00740,ko00860,ko01100,ko01240 Mannose 18950 ko00051,ko00052,ko00520,ko01100,ko01250,ko02010,ko04142,ko04625 α-Ketoglutaric Acid (α-KG) 51 ko00020,ko00040,ko00053,ko00220,ko00250,ko00310,ko00340,ko00430,ko00470,ko00630,ko00650,ko00785,ko01100,ko01200,ko01210,ko01230,ko01240,ko04066,ko04727,ko04922,ko04964,ko04976,ko05230 (±)13-HpODE 6437847 ko00591,ko01100 Deoxycytidine diphosphate 150855 ko00240,ko01100,ko01232 D-Allose 439507 ko00051,ko01100,ko02010 L-Allothreonine 99289 ko00260,ko01100 N-(2-Furoyl)glycine 21863 - 3-Hydroxymethylglutaric acid 1662 - 2-Heptyl-4-hydroxyquinoline n-oxide 1561 - 5-oxoETE 5283159 ko00590,ko01100 L-Homoserine 12647 ko00260,ko00270,ko00920,ko01100,ko01230 3-Hydroxyphenylacetic acid 12122 ko00350,ko00360,ko01100 Cyclohexanecarboxylic acid 7413 ko01100 2-Aminoethyl dihydrogen phosphate 1015 ko00563,ko00564,ko00600,ko01100,ko04071 p-Coumaryl alcohol 5280535 ko01100 Butyric acid 264 ko00650,ko01100,ko04973,ko04974 Phenyl acetate 31229 - Zeranol 2999413 - Erucic acid 5281116 ko01040 Tretinoin 444795 ko00830,ko01100,ko04659,ko04672,ko05200,ko05222,ko05223,ko05226 trans-trans-Muconic acid 5356793 - Rosmarinic acid 5281792 ko00350,ko01100 Phthalic acid 1017 ko01100,ko02010 Glutaric acid 743 ko00071,ko00310,ko01100 L-Gulose 10130220 ko00053 Acetaminophen glucuronide 83944 - alpha-Ketoisovaleric acid 49 ko00280,ko00290,ko00770,ko00785,ko01100,ko01210,ko01230,ko01240 Bovinic acid 5280644 ko00591 ADP-ribose 192 ko00230,ko01100 2-Aminoethylphosphonate 339 ko00440,ko01100,ko02010 6-Phosphogluconic acid 91493 ko00030,ko01100,ko01200 (±)9-HpODE 5282856 ko00591,ko01100 (R)-dihydrolipoic acid 9834298 ko00785,ko01100 Oxoadipic acid 71 ko00310,ko00380,ko00785,ko01100,ko01210,ko01230,ko01240 gamma-Linolenic Acid 5280933 ko00591,ko01040,ko01100 Purine 1044 - Betaine 247 ko00260,ko01100,ko02010 Pyridine-3,4-dicarboxylic acid 10273 - p-Toluenesulfonic acid 6101 ko01100 3-Methylxanthine 70639 ko00232,ko01100 3,4-Dihydroxybenzeneacetic acid 547 ko00350,ko01100,ko04728,ko05030,ko05031,ko05034 Cyclamic acid 7533 - L-3-Phenyllactic acid 643327 ko00360,ko01100 Hydrocortisone 5754 ko00140,ko01100,ko04080,ko04927,ko04934,ko04960,ko04976,ko05200,ko05215 Diphenylamine 11487 - L-Ascorbyl 6-palmitate 54680660 - 2-Hydroxyethanesulfonic acid 7866 ko00430,ko01100 1,3-Dimethyluric acid 70346 - 3,4-Dihydroxyhydrocinnamic acid 348154 ko00350,ko01100 Suberylglycine 6453952 - Acetylsalicylic acid 2244 ko04976 Isokaurenoic acid 73062 ko01100 Pyrocatechol 289 - 2-Amino-3-phosphonopropionic acid 3857 ko00440,ko01100 7-Methylxanthine 68374 ko00232,ko01100 Terephthalic acid 7489 ko01100 Metronidazole 4173 - Quininae 8549 ko04742,ko04976 2-Aminobenzimidazole 13624 - 3-Hydroxyisovaleric acid 69362 - Panthenol 4678 ko00770 N-Palmitoylglycine 151008 - 1-Methylxanthine 80220 ko00232,ko01100 2'-Deoxyadenosine-5'-monophosphate 12599 ko00230,ko01100,ko01232 Glyceric acid 752 ko00030,ko00260,ko00561,ko00630,ko01100,ko01200 Cytidine-5'-diphosphate 6132 ko00240,ko01100,ko01232,ko01240 (Rs)-Mevalonic Acid 449 ko00900,ko01100,ko04216 s-Hexylglutathione 97536 - 4-Hydroxyquinoline 691414 - 3-(3,4,5-Trimethoxyphenyl)propanoic acid 64860 - 2,4-Dihydroxypyrimidine-5-carboxylic acid 90301 - FFA(12:1) 5312378 - N-Methyl-D-aspartic acid 22880 - 3-Hydroxypicolinic acid 13401 - 2'-Deoxycytidine-5'-monophosphate 13945 ko00240,ko01100,ko01232 5,6-DHET 5283142 ko00590,ko01100,ko04726 4-Hydroxyisophthalic acid 12490 - 3,7-Dimethyluric acid 83126 ko00232 N-Acetyl-D-glucosamine 439174 ko00520,ko01100,ko01250,ko02010 5-Methoxytryptamine 1833 ko00380 6-Methyl mercaptopurine 5778 ko00983 Xanthurenic acid 5699 ko00380 Lipoxin A4 5280914 ko00590,ko01100,ko04080,ko04148,ko05145 N6-Succinyl Adenosine 20849086 - Tetrahydrocurcumin 124072 - Caftaric acid 6440397 - trans-1,2-Cyclohexanediol 92886 - Glycocholic acid 10140 ko00120,ko01100,ko04976,ko04979 2,4-Diamino-6-hydroxypyrimidine 135408763 - Tryptamine 1150 ko00380,ko01100,ko04080 Verruculogen 13887805 ko01100 Inosine diphosphate 135398651 ko00230,ko01100,ko01232 6-Hydroxynicotinic acid 72924 ko00760,ko01100 Thymidine-5'-phosphate 9700 ko00240,ko01100,ko01232,ko01523 Kynurenic acid 3845 ko00380,ko01100 Sinapic acid 637775 ko01100 Hydrocortisone acetate 5744 - 1-Naphthylacetic acid 6862 - 4-Guanidinobutyric acid 500 ko00330,ko01100 9-Fluorenone 10241 ko01100 11-Dehydrocorticosterone 5311364 ko00140 Urocanic acid 736715 ko00340,ko01100 4-Hydroxyphenylpyruvic acid 979 ko00130,ko00350,ko00400,ko01100,ko01210,ko01230,ko01240 L-Tyrosyl-L-serine 54564570 - 6-Dimethylaminopurine 3134 - Desaminotyrosine 10394 ko01100 Phenylacetic acid 999 ko00360,ko01100 Bergaptol 5280371 - L-Cysteine 5862 ko00260,ko00270,ko00430,ko00470,ko00480,ko00730,ko00770,ko00920,ko00970,ko01100,ko01200,ko01230,ko01240,ko04122,ko04216,ko04974,ko05230 Tartaric acid 444305 ko00630,ko01100 5-trans-PGF2alpha 5283078 ko00590,ko01100,ko04072,ko04080,ko04726,ko04913,ko04921,ko04976 D-Pyroglutamic acid 439685 ko00470,ko01100 Pentadecanoic acid 13849 - N-Stearoyl Taurine 168274 - Lactic acid 612 - trans-Vaccenic acid 5281127 - Penicillin g 5904 ko04976 Pyrophosphate 644102 ko00190,ko05012,ko05022 16-Hydroxyhexadecanoic acid 10466 ko01100 cis-7-Hexadecenoic acid 5318393 - Cholesterol sulfate 65076 ko00140,ko01100 1-Pyrroline-4-hydroxy-2-carboxylate 440282 ko00470,ko01100 2-Hydroxyhexadecanoic acid 92836 - Coriolic acid 5282947 - Petroselinic acid 5281125 - 2'-Deoxyguanosine-5'-triphosphate 135398599 ko00230,ko01100,ko01232 Cis-8,11,14,17-Eicosatetraenoic acid 11722594 - Adrenic acid 5497181 ko01040,ko04216 Heptadecanoic acid 10465 - Vidarabine 21704 - Furfural diacetal 83553 - Valproic acid 3121 ko00982,ko04976 13,16,19-Docosatrienoic acid 5312556 - 3-Hydroxytetradecanoic acid 16064 - Acitretin 5284513 - Glyceraldehyde 751 - 3-Hydroxydodecanoic acid 94216 - Ethyl stearate 8122 - Ethyl tetradecanoate 31283 - Glycolic acid 757 ko00071 (S)-14-Methylhexadecanoic acid 22207 - N-Palmitoyl Taurine 14504290 - Daidzein 5281708 ko01100 Valerenic acid 6440940 - 4-Hydroxyphenyl thiocyanate 220327 - Corchorifatty acid F 44559173 - Docosatrienoic acid 5312557 - 2'-Deoxyguanosine-5'-diphosphate 135398595 ko00230,ko01100,ko01232 1,7-Bis(4-hydroxyphenyl)-3-heptanone 14608480 - p-Cresol sulfate 4615423 - 5beta-Cholanic acid 92803 - Glycerophospho-N-Arachidonoyl Ethanolamine 71684654 ko00564 Methyl hexadecanoic acid 8181 - 6-trans-12-epi Leukotriene B4 5283129 - Mannitol 1-phosphate 130418 ko00051,ko01100 Galactose 6036 ko00052,ko01100,ko04973,ko04978 Sorbitol-6-phosphate 152306 ko00051,ko01100 LPE(20:4/0:0) 42607465 ko00564 Nalidixic acid 4421 - Malic acid 222656 ko00020,ko00620,ko00630,ko01100,ko01200,ko04742,ko04922,ko04964,ko05200,ko05211,ko05230 2-Methylbenzoic acid 8373 ko01100 Uridine-5'-diphosphate-glucose 8629 ko00040,ko00052,ko00053,ko00500,ko00520,ko00524,ko00561,ko01100,ko01240,ko01250 Ciclopirox 2749 - Sinapyl alcohol 5280507 ko01100 (-)-Epicatechin gallate 107905 - 4-Methoxycinnamic acid 699414 - 4-Ethylbenzoic acid 12086 - cis-3-Hexenyl acetate 5363388 ko00592 FAA(18:1) 5282761 - cis-11-Eicosenoic acid 5282768 ko01040 Elaidic acid 637517 - Norethindrone acetate 5832 - Poly-N-acetyllactosamine 119547 - 2-Hydroxyxanthone 74708 - 3-Hydroxydecanoic acid 26612 - 8-Geranylumbelliferone 71694409 - Nervonic acid 5281120 ko01040 LPC(14:0/0:0) 460604 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 Prostratin 454217 - N-Palmitoylsphingomyelin 9939941 - Isoacitretin 6437841 - Alpha-Ketooctanoic acid 67600 - 2,4-Dichlorobenzoic acid 5787 ko01100 PA(18:1(9Z)/18:1(9Z)) 14057128 - 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 9546800 ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167 Uridine-diphosphate-N-acetylglucosamine 445675 ko00520,ko00524,ko01100,ko01250,ko04931,ko05415 3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin 51136412 - 1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)) 5283509 ko00564,ko01100 1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 42607458 - Phytanic acid 26840 - 8-Amino-7-oxononanoic acid 173 ko00780,ko01100,ko01240 Eupatoriochromene 100768 - 5-Hydroxyvalproic acid 135244 ko00982 Pyridoxamine phosphate 1053 ko00750,ko01100,ko04977 PE(18:0/20:4(5Z,8Z,11Z,14Z)) 5289133 ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167 D-Alanine 71080 ko00470,ko01100,ko04742 1-Palmitoyl-sn-glycero-3-phosphoethanolamine 58177710 ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167 PC(16:0/20:4(5Z,8Z,11Z,14Z)) 10747814 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 12-Hydroxyjasmonic acid 5497122 - Dichlorprop-P 119435 - Stearaldehyde 12533 - (-)-9,10-Dihydrojasmonic acid 644120 - Eicosapentaenoic acid 446284 ko01040 Hydroxyvalerenic Acid 6537505 - Estrone glucuronide 115255 ko00140 13-HODE 6443013 ko00591,ko03320 Quadrone 442299 - 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one 3084606 - 2-Ethyl-2-Hydroxybutyric acid 77199 - Mevalonate 5-phosphate 439400 ko00900,ko01100 2-Methylguanosine 135501934 - Loxoprofen 3965 - (+)-trans-Chrysanthemic acid 16747 - Ibuprofen 3672 - AICA ribonucleotide 65110 ko00230,ko00340,ko01100,ko04152 Hesperetin 72281 - 2,3-Dihydroxy-2-methylbutanoic acid 301941 - Maclurin 68213 - Acenocoumarol 54676537 - Androsterone sulfate 159663 - Isopimaric acid 442048 - Guanine 135398634 ko00230,ko01100,ko01232 16-Methylheptadecanoic acid 21859 - Armexifolin 13918461 - 3,3',4'5-Tetrahydroxystilbene 667639 - Abscisic acid 5375200 - Prolyl-cysteine 44467438 - 6β-hydroxytestosterone 65543 - (R)-2-hydroxystearic acid 439885 - Alpha-Linolenoyl ethanolamide 5283449 - Zingerone 31211 - Oryzalin 29393 - 1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 42607457 ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167 Lovastatin acid 64727 ko01100 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid 9819225 - Helenalin 23205 - 3-Phosphoglyceric acid 439183 ko00010,ko00030,ko00260,ko00270,ko00561,ko00630,ko01100,ko01200,ko01230,ko01240,ko04922,ko05230 Carvacrol 10364 - Traumatin 5312889 ko00592 Esculin 5281417 - Deoxyuridine triphosphate 65070 ko00240,ko01100,ko01232 (R)-3,7-Dimethyl-1,6-octadien-3-ol 67179 - 4-Methoxy-2,4-dioxobutanoic acid 128843 - Daphnetin 5280569 - 1-Heptadecanoyl-sn-glycero-3-phosphocholine 24779463 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 N-Methyl-a-aminoisobutyric acid 75725 - Boldine 10154 - Polydatin 5281718 - Aminosalicylic Acid 4649 - 3-Hydroxyflavone 11349 - Lyxo-2-Hexulose 92092 - Diprogulic Acid 65420 - beta-Glycerophosphoric acid 2526 - Isorhamnetin 5281654 - Methazolamide 4100 - 4-Hydroxybenzeneacetonitrile 26548 - 3-O-Methylquercetin 5280681 - N-arachidonoylglycine 5283389 - Gallocatechin gallate 5276890 - Acetylvalerenolic acid 6439585 - Mesalazine 4075 - Rosiglitazone 77999 - Rabeprazole 5029 - Ethirimol 135424354 - Geniposidic acid 443354 - Hydroxypropanedioic acid 45 - Coniferyl alcohol 1549095 ko01100 alpha-Bixin 5281226 - Chlorambucil 2708 - 6-Acetylmorphine 5462507 - Capillarisin 5281342 - Isotretinoin 5282379 - (3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol 387977 - (S)-Mevalonic acid-5-pyrophosphate 22833574 - FFA(22:5) 5497182 ko01040 Tacrine 1935 - Ethyl gallate 13250 - Gluconasturtiin 656555 ko01210 Dinoterb 14994 - 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine 445468 - 3alpha-Hydroxy-5beta-pregnane-20-one sulfate 44322229 - Bergenin 66065 - Amifostine 2141 - 3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide 66769741 - Cortisol 21-sulfate 102172 - Dl-Lyxose 65550 - 4-Methylsulfinylbutyl glucosinolate 9548634 - gamma-Glutamylglutamate 92865 - Aacocf3 5280436 - Isatin 7054 - D-4-Hydroxyphenylglycine 89853 - Phenylbutazone 4781 - Coumafuryl 54689800 - 3-Hydroxyhexadecanoic acid 301590 - Nb-Palmitoyltryptamine 3726592 - Glucoliquiritin apioside 74819335 - Plumieride 72319 - Bortezomib 387447 - Myricetin 5281672 - Oxycanthine 371257 - Methyl sulfate 6412 - Enalapril 5388962 - Pendimethalin 38479 - 6-Hydroxycyanidin 441697 - Formoterol 3410 - Acetic acid 176 ko00010,ko00430,ko00440,ko00534,ko00620,ko00630,ko00920,ko01100,ko01200,ko04725,ko04936,ko04973,ko04974 Geniposide 107848 - 2-amino-3-(1H-pyrazol-1-yl)propanoic acid 119630 - Perseitol 441436 - Indolmycin 135417159 - Vergentan 135413504 - Dinoseb 6950 - Deoxyguanosine 5'-monophosphate(dGMP) 135398597 ko00230,ko01100,ko01232 Propyl gallate 4947 - 2,5-Dihydroxycinnamic acid 6442618 - Allantoic acid 203 ko00230,ko01100 Cystathionine 834 - Geraniol 643820 - Glucotropaeolin 656498 ko01210 Glucocheirolin 656531 - N-acetyl-5-aminosalicylic acid 65512 - Trifluridine 6256 - Dobutamine 36811 - L-Alanyl-L-tryptophan 85362 - D-phenylalanine 71567 ko00360,ko00470,ko01100,ko04742 Cyanidin 128861 ko01100 N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid 81831 - Labetalol 3869 - Midodrine 4195 - Xanthohumol 639665 - 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid 14379528 - 5-Methyltetrahydrofolic acid 135415868 - Ethyl fumarate 5358902 - Taxifolin 439533 ko01100 [12]-Gingerol 5317599 - 2,3-Dimercaptosuccinic acid 9354 - beta-N-Methylamino-L-alanine 105089 - Bergapten 2355 - Isoetharine 3762 - Triamcinolone 31307 - S-Lactoylglutathione 119450 - beta-D-gentiobiosyl crocetin 10461942 ko01100 3-Furoic acid 10268 - Mepivacaine 4062 - Bifenazate 176879 - Thapsigargin 446378 - Lobeline 101616 - Se-methylselenocysteine 147004 ko00450,ko01100 Chelidonic acid 7431 - 2-Propylphenol 12570 - 4-(Hydroxymethyl)benzenesulfonic acid 441138 - Hycanthone 3634 - Pravastatin 54687 ko04976 Penicillamine 4727 - Phenylpropiolic acid 69475 - Entecavir 135398508 - Glutamylglutamine 10171586 - 4-Carboxyphenylglycine 5115 - Apigenin 7,4'-dimethyl ether 5281601 - 1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione 73849 - alpha-Hydroxyhippuric acid 450272 - Glucolesquerellin 46173875 ko01210 Diflunisal 3059 - Sinensetin 145659 - Nateglinide 5311309 - Psilocybine 10624 ko01100 Dexmedetomidine 5311068 - Mandipropamid 11292824 - Succinic acid semialdehyde 1112 ko00250,ko00350,ko00650,ko00750,ko00760,ko01100,ko01200 Edaravone 4021 - Formononetin 5280378 ko01100 Acebutolol 1978 - 3,4-Dihydrocoumarin 660 - Cromolyn 2882 - 9,12-Octadecadiynoic Acid 1931 ko00592 DL-Glutamine 738 - Loganic acid 89640 - Valproic acid glucuronide 88111 - Gramine 6890 - Biphenyl-2,3-diol 254 ko01100 3-Methylbenzaldehyde 12105 ko01100 Mifepristone 55245 - 2',3,4,4',6'-Pentahydroxychalcone 5461154 - Nicotianamine 9882882 ko00270,ko01100 Demethoxycurcumin 5469424 - 2-dehydro-D-gluconic acid 3035456 ko00030,ko01100 Lonchocarpol A 124035 - Zeatin riboside 6440982 - 8-Prenylnaringenin 480764 - D-Cysteine 92851 ko00270,ko00470,ko01100 Ethionamide 2761171 - Alphazurine 123671 - 1,2-epoxy-3-(p-nitrophenoxy) propane 21327 - (-)-Arctigenin 64981 - Celecoxib 2662 - Secologanin 161276 ko01100 Euxanthone 5281631 - Fludarabine phosphate 30751 - N-Palmitoylsphingosine 5283564 ko00600,ko01100,ko04071,ko04217,ko04722,ko04920,ko04931,ko04933,ko05140,ko05415 Melleolide H 14166122 - N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 131751776 ko00600,ko01100,ko04071,ko04217,ko04722,ko04920,ko04931,ko04933,ko05140,ko05415 N-(2-Fluorophenyl)Cinnamamide 875024 - Clidinium 2784 - (2-(1-Butoxyethoxy)ethyl)benzene 62876 - Zopiclone 5735 - Ferimzone 9013425 - D-Urobilin 5280820 ko00860,ko01100 Cer(d18:0/16:0) 5283572 ko00600,ko01100,ko04071,ko04217,ko04722,ko04920,ko04931,ko04933,ko05140,ko05415 ganoderol A 13934284 - Benzaldehyde 240 ko01100 Lucyobroside 131751236 - Rhipocephalin 5281528 - Metformin hydrochloride 14219 - 2,3-Bis[[(Z)-octadec-9-enoyl]oxy]propoxy-(2,3-dihydroxypropoxy)phosphinic acid 11846228 ko00564,ko01100 Thiabendazole 5430 - Longifolonine 442312 - Phytuberin 442387 - 2',2'-Difluorodeoxyuridine 9871558 - 1-(4-Methoxyphenyl)-2-nitroethylene 697963 - N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-YL)ethyl)oxalamide 11221120 - 2-(Hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol 15613266 - T-2 Tetraol 9904331 - Crotonoside 65085 - 3-(N-Nitrosomethylamino)propionitrile 62163 - Spinatoside 21722022 - 4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione 11818168 - Aklomide 2075 - Metaproterenol 4086 - 7,8-Dehydro-3,4-dihydro-beta-ionol 62126 - (+)-Cucurbic acid 5281159 - 4-oxo-4-(3-pyridyl)butyraldehyde - ko00760,ko00980,ko01100,ko05204 Fenazaflor 26597 - 10'-Apo-beta-carotenal 6450190 - Creatine 586 ko00260,ko00330,ko01100 Pyridinoline 105068 - rac-trans-Sertraline 9882979 - Methyl 4-(methylthio)butyrate 65425 - Globoisotriaose 53477863 - Chlordecone alcohol 13946 - Parfumine 185623 - N5-Hexanoylspermidine 86127607 - 2,3-Dinor-TXB2 5283138 - Oxprenolol 4631 - (8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid 44322431 - 9,10-DHOME 9966640 - Dephospho-CoA 439335 - 9,10-EpOME 12097313 - alpha-CEHC 9943542 - D-Arabinose 6902 - 5-HEPE 6439678 - Val-trp 168182 - 12S-HHT 5283141 - 15(S)-Hydroxyeicosatrienoic acid 5283145 - Phosphoric acid - ko00190,ko02010,ko04928,ko04978,ko05012,ko05022 12,13-DiHOME 10236635 - Tetracosanoic acid 11197 ko01040 9-PAHSA 72189985 - Nonadecanoic acid 12591 - Oleic estolide 13294502 - 3-Indoleacetonitrile - ko00380,ko01100 Pov-pc 23557187 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 Fusidic acid 3000226 - Palmitic acid 985 ko00061,ko00062,ko00071,ko01040,ko01100,ko01212 2-Hydroxyoctadecanoic acid 69417 - FFA(16:0) 985 ko00061,ko00062,ko00071,ko01040,ko01100,ko01212 13-Methylmyristic acid 151014 - 2-Naphthalenesulfonic acid 8420 - Glutathione Reducedform - ko00270,ko00480,ko01100,ko01240,ko02010,ko04216,ko04918,ko04976,ko05208,ko05415 9-OxoODE 9839084 ko00591 4-Oxoniocarbonylbenzoate 22416364 - LPS(22:6) 52926281 ko00564 Glucose 5793 ko00010,ko00030,ko00052,ko00500,ko00520,ko00524,ko01100,ko02010,ko04066,ko04068,ko04148,ko04152,ko04742,ko04910,ko04911,ko04917,ko04922,ko04930,ko04931,ko04932,ko04933,ko04973,ko04976,ko04978,ko05230,ko05415 O-Phospho-L-tyrosine 30819 - Vernolic acid 5356421 ko00591,ko01100 D-Phenylalanine 994 - 4-Amino-3-hydroxybutyrate 2149 - 2-Dodecylbenzenesulfonic acid 25457 - Aconitic acid 309 - 4-Hydroxytamoxifen 449459 ko00982 Cys-Trp 20380880 - 1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one 4552 - 4-Acetamidobenzoic acid 19266 - Propofol Glucuronide 71751823 - Pregnenolone sulfate 105074 ko00140,ko01100 Glycerophosphoric acid 754 - Asparagylalanine 18218175 - 5,8,14-Eicosatrienoic acid, 11,12-dihydroxy-, (5Z,8Z,14Z)- 11121316 - 2-Naphthoic acid 7123 - Talose 99459 - 3-(4-Fluorobenzoyl)propionic acid 101359 - 2,2-Dimethylglutaric acid 12681 - 2,4-Dinitrophenol 1493 - Nordihydrocapsiate 9817607 - Stearic acid 5281 ko00061,ko01040,ko01100 DL-Pantothenic acid 988 - LPE(0:0/18:2) 53480926 ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167 5-Oxo-4,5-dihydro-2-furylacetic acid 104 ko01100 LPE(0:0/16:0) 53480922 ko00564 4-Dodecylbenzenesulfonic acid 8485 - LPC(15:0/0:0) 24779458 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 4-Chloro-L-phenylalanine 736190 - Oleoyltaurine 6437033 - 2-Propylglutaric acid 134970 ko00982 Dihydroxyacetone phosphate 668 ko00010,ko00040,ko00051,ko00052,ko00561,ko00562,ko00564,ko00630,ko00640,ko00760,ko01100,ko01200,ko01230 3-(3-hydroxy-4-methoxyphenyl)propanoic acid 2752054 - 9-Oxo-nonanoic acid 75704 ko00592 LPE(0:0/18:0) 53480667 ko00564 4,6-Dinitro-O-cresol 10800 - 9alpha,15S-Dihydroxy-11-oxothromba-5Z,13E-dien-1-oic acid 71684421 - 10-Hydroxydecanoic acid 74300 - Meldonium 123868 - Embelin 3218 - Uridine-5'-diphospho-N-acetylgalactosamine disodium salt 23724461 ko00520,ko01100,ko01250 Methylgingerol 71391212 - 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 5283499 - 1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 42607490 - Diethyl phthalate 6781 - 1,2-Distearoyl-sn-glycero-3-phosphocholine 94190 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 5-Acetylamino-6-formylamino-3-methyluracil 108214 ko00232,ko01100 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoglycerol 46891843 ko00564,ko01100 Methylphosphonic acid 13818 ko00440,ko01100 Phenobarbital 4763 ko05207 Carboxyphosphamide 31515 ko00982 3-Palmitoyl-sn-glycerol 14900 ko00561,ko01100,ko04714,ko04923,ko04975,ko04977 Phenylbutyrylglutamine 9943917 - 3-Oxooctadecanoic acid 5283005 - 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine 9546809 ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167 5-Acetamidovalerate 439903 ko00310,ko01100 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 24778764 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 3-Methoxyanthranilate 255720 ko00380 PE-NMe2(18:1(9Z)/18:1(9Z)) 9547022 - Fosfosal 3418 - LPE(0:0/22:5) 53480944 ko00564 Hexadecenoic acid 5282743 - LPI(18:1) 42607496 ko00564 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphate 24779559 ko00561,ko00564,ko01100,ko04024,ko04070,ko04072,ko04666,ko04912,ko04975,ko05200,ko05212,ko05231 Isoguvacine 3765 - Folinic acid 135403648 ko00670,ko01100 2,2-Dimethylbutyric acid 11684 - Isoevodiamine 151289 - DL-Carbidopa 2563 - Glyphosate 3496 - D-Mannose 6-phosphate 65127 ko00051,ko00520,ko01100,ko01240,ko01250,ko04142 Amebacilin 3430 - 3-(4-Hydroxyphenyl)chroman-7-ol 382975 - Didox 3045 - Pinolidoxin 5281169 - Clopyralid 15553 - 4-Chloro-2-methylphenol 14855 - 4-ene-Valproic acid 104896 ko00982 LPS(18:1/0:0) - ko00564 1-Palmitoylglycerol 3-phosphate 89566 - 3-Isobutyl-1-methylxanthine 3758 - spiperone 5265 - 3-Aminocaproic acid 5275645 - 1-Hexadecyl-sn-glycerol 3-phosphate 11825433 ko00561,ko00564,ko01100,ko04072,ko04080,ko04540,ko04810,ko04975,ko04977,ko05200 Phosphatidylserine 9547096 - LPE(0:0/20:5) 53480938 ko00564 Dihydroartemisinin(DHA) 131770024 - 1,3-Cyclohexanedione 10434 - Fingolimod phosphate 9908268 - Uridine-5'-diphosphogalactose disodium salt 23724458 ko00052,ko00520,ko01100,ko01250 6-Thiouric acid 3032417 ko00983 Repaglinide aromatic amine 57826284 - Acetamiprid 213021 - 2,4-Dihydroxybenzophenone 8572 - Indoprofen 3718 - Piperonyl butoxide 5794 - 11-Hydroxy-THC 37482 - Dichlorprop 8427 - Fosfluconazole 214356 - Dicamba 3030 - Imazethapyr 54740 - D-Pinitol 164619 - Sapanisertib 45375953 - thiamin-PPi 644169 - Flibanserin 6918248 - (Aminomethyl)phosphonic acid 14017 - 2,4-Dihydroxy-nitrophenol 76623 - Febuxostat 134018 - Phenol glucuronide 87235 - L-Tryptophan-L-glutamine 25187914 - Dextrorphan, Antibiotic for Culture Media Use Only 11230637 - 3-Oxopentanoic acid 439684 - Bis(4-chlorophenyl)acetic acid 6730 - Tramiprosate 1646 - LPS(18:2) 52926279 ko00564 Tetrahydroharmine 159809 - 3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate 4920903 - 4'-Hydroxyflavanone 165506 - Alizarin 6293 - PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 9546797 ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167 Lonidamine 39562 - 2',4',6'-Trihydroxydihydrochalcone 1226045 - (3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid 58753595 - 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 24778931 ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231 6-Hydroxybuspirone 9930913 - Nimustine 39214 - N(4)-Acetylsulfamethazine 66855 - Picloram 15965 - 1-Myristoyl-sn-glycerol 3-phosphate 9547180 - Bentazone 2328 - 3',5'-Dihydroxyflavone 45933941 - (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one 5324473 - Fenspiride hydrochloride 68626 - N-Undecanoylglycine 454092 - Propyl 1-(propylsulfinyl)propyl disulfide 85752107 - Semilepidinoside B 100927770 - N-decanoylglycine 1712391 - S-3-oxodecanoyl cysteamine 124202115 - [2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 78055824 - Carnitine C16:1 53477817 - Demanyl phosphate 151438 ko00564 6-Hydroxymethyletoricoxib 44266438 - 12-Oxo-20-trihydroxy-leukotriene B4 53481460 - Cyclohexene, 4-methyl-1-(1-methylethyl)- 10369 - N-(3-Aminopropyl)-4-methyl-2-nitrobenzenamine 5276854 - 1-Pentadecanoyl-2-docosanoyl-glycero-3-phosphoserine 52925266 - Clofentezine 73670 - Isotabtoxin 14586819 - N-(2,4-Dinitrophenyl)ethylenediamine 168833 - 1-Methoxypyrene 160236 - 2,6-Dimethoxyphenol 7041 - PE(P-16:0/20:2(11Z,14Z)) 52925059 ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167 N-(4-coumaroyl)-L-homoserine lactone 71311837 - PG(18:0/18:3(6Z,9Z,12Z)) 52926580 ko00564,ko01100 1,2,4,5-Tetrachlorobenzene 7270 - Thiocyanic acid, p-aminophenyl ester 76336 - (9S,10S,12Z)-9,10-Dihydroxy-12-octadecenoic acid 25320858 - Octadec-9-ene-1-carboxylic acid 250154 - (5S,6R,7E,9E,11Z,14Z)-6-[(2S)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid 51404801 - (3Z)-2-Propylpent-3-enoic acid 24892812 ko00982 5-(7-Acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl)-2-methylpenta-2,4-dienoic acid 621355 - LPE(22:5/0:0) 348281290 ko00564 Tyrphostin A25 2061 - Cysteinyl-aspartate 18218193 - 2-[(2-Amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoic acid 4578035 - METABOLITES_END #END