Data for ST001746
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 10-HDA | 31070594.09 | 47956965.37 | 13337072.85 | 16615664.88 | 10979432.32 | 18650240.12 | 13592512.67 | 13200857.62 | |
| 10-Nitrolinoleic acid | 12200753.99 | 10712066.73 | 14329837.32 | 14090160.24 | 8567988.74 | 13744943.61 | 12940022.73 | 12689566.52 | |
| 11,12-Epoxyeicosatrienoic acid | 2636695.47 | 5263995.11 | 119234527.69 | 1732236.26 | 8079045.08 | 1669539.49 | 1126818.58 | 12382890.28 | |
| 11-Aminoundecanoic acid | 19192280.40 | 13016041.85 | 15245532.85 | 18549569.05 | 13791208.50 | 18766634.34 | 19659858.58 | 15691475.55 | |
| 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol | 167155.23 | 781836.22 | 573183.41 | 701166.77 | 1441811.32 | 1200345.22 | 1125624.46 | 1978275.97 | |
| 12,13-DiHODE | 75881081.18 | 171517742.62 | 70062934.29 | 131475897.36 | 91185560.32 | 119902036.20 | 109302898.82 | 80642643.81 | |
| 12-Hydroxydodecanoic acid | 3654584.02 | 118264291.07 | 7995339.64 | 25305862.98 | 20734611.61 | 20388063.75 | 18907327.08 | 10178041.95 | |
| 12-Hydroxystearic acid | 28310267.59 | 69163730.77 | 41578531.44 | 52571435.98 | 29980586.30 | 52068567.19 | 32092354.77 | 40722085.26 | |
| 12(S)-HPETE | 1295132.63 | 1379647.38 | 3780205.67 | 1475319.27 | 1533396.89 | 1472537.05 | 1255751.68 | 1010386.12 | |
| 12(S)-Leukotriene B4 | 702934.81 | 6671224.57 | 845286.00 | 5471728.38 | 1033369.53 | 1126534.36 | 1857261.21 | 2429598.93 | |
| 13-HODE | 25469329.55 | 33748834.94 | 23996647.98 | 25451548.36 | 19585645.21 | 29553558.72 | 28564016.48 | 22777959.07 | |
| 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphen... | 20503993.24 | 36632163.78 | 43475195.38 | 17479400.13 | 14725523.88 | 20038735.82 | 18328771.68 | 55045061.61 | |
| 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose | 4265258.03 | 3877471.54 | 6040894.76 | 2449464.12 | 6685188.75 | 5123737.05 | 5733961.46 | 5317799.40 | |
| 16-Hydroxy hexadecanoic acid | 3164213.75 | 14752176.06 | 4652463.48 | 29242492.60 | 13775695.28 | 22594585.77 | 13077833.62 | 6312475.35 | |
| 19,20-DiHDPA | 1960296.68 | 21913227.28 | 2273361.57 | 5639181.09 | 4558552.46 | 2866832.79 | 10965122.93 | 7079426.29 | |
| 1-Aminocyclopropanecarboxylic acid | 11488864.56 | 12220619.54 | 8567704.52 | 5988775.63 | 12942427.83 | 6154051.50 | 10568441.17 | 13455006.76 | |
| 1-Arachidonoyl-sn-glycero-3-phosphocholine | 3117355114.30 | 4310666954.70 | 2395091602.40 | 2732881740.80 | 2841841385.10 | 2541364923.30 | 2128208131.50 | 2810472551.60 | |
| 1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine | 421832145.97 | 451332888.84 | 392550683.66 | 415990671.05 | 444376286.12 | 430348355.56 | 493054043.28 | 366759792.77 | |
| 1-Methylhistamine | 10874456.36 | 2760398.87 | 14783935.17 | 2837512.02 | 11351412.51 | 3333005.05 | 4095812.59 | 14023153.27 | |
| 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine | 109447615.13 | 126294560.85 | 83501522.44 | 103290311.44 | 116635680.32 | 117135501.23 | 132193837.92 | 92474553.56 | |
| 20-Hydroxyeicosatetraenoic acid | 322716.68 | 2925321.80 | 499689.72 | 832974.44 | 346221.62 | 542932.62 | 419328.84 | 551423.04 | |
| 2,2^-Iminodipropanol | 82837743.21 | 191006624.28 | 175884936.98 | 109031381.00 | 116032822.56 | 228250816.54 | 117052875.77 | 295569603.59 | |
| 2,4,6-Octatriyn-1-ol | 23467859.13 | 19971090.37 | 32110973.44 | 10288586.95 | 23539451.46 | 11722884.23 | 18568893.40 | 23689402.69 | |
| (±)-2,6-Dimethyl-5-heptenal | 43856838.68 | 37355157.97 | 29567714.34 | 16064591.93 | 36804100.60 | 27594180.03 | 27423538.16 | 34561418.66 | |
| 2,6-Di-tert-butyl-1,4-benzenediol | 2105306.97 | 3409170.93 | 1479101.14 | 5111661.51 | 2632146.79 | 2205901.91 | 2495217.15 | 1407527.08 | |
| 2-Acetyl-4-methylpyridine | 17037701.70 | 16264175.14 | 20591885.58 | 8280563.13 | 20234719.85 | 8892387.33 | 15125814.09 | 18558645.86 | |
| 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1^,2^,3^-trihydroxy... | 8587454.21 | 20097676.68 | 26477857.32 | 8894305.52 | 6972837.56 | 11466918.13 | 10234557.46 | 32664853.61 | |
| 2-Dodecylbenzenesulfonic acid | 31861271.03 | 36829664.88 | 37024578.69 | 45811686.93 | 35246508.16 | 41139681.80 | 50239643.99 | 35671300.26 | |
| 2-Ethyl-4,5-dimethylthiazole | 19745647.36 | 4848890.92 | 3151929.80 | 15875621.18 | 22271443.81 | 9421568.25 | 21660235.22 | 6135450.89 | |
| 2-Furoic acid | 4893123.86 | 9224957.28 | 6399032.77 | 11818925.01 | 16342506.19 | 9066010.52 | 18810994.72 | 17816022.55 | |
| 2-Hexenoylcarnitine | 595381.91 | 544653.77 | 609481.32 | 1433063.49 | 1035383.93 | 540825.42 | 1402258.48 | 568301.75 | |
| (±)-2-Hydroxy-4-(methylthio)butanoic acid | 2392618.22 | 1890054.69 | 2387991.96 | 2849036.63 | 2008635.04 | 1917369.82 | 2323427.69 | 2299648.97 | |
| 2-Keto-6-acetamidocaproate | 1870200.34 | 1948815.06 | 1688066.41 | 1969171.17 | 4727414.89 | 2232259.89 | 3225722.40 | 3687147.75 | |
| 2-Ketobutyric acid | 89197439.97 | 85971924.11 | 83606989.75 | 59480517.00 | 93642598.25 | 72158304.34 | 91293310.05 | 101165544.71 | |
| 2-Methyl-5-nitroaniline | 35458960.54 | 67923916.18 | 34102625.80 | 59016392.29 | 75112664.86 | 42645111.31 | 65553138.00 | 65356344.36 | |
| 2-Octanamidoacetic acid | 6062164.99 | 30180820.44 | 9260257.70 | 46456971.79 | 27447410.29 | 23012999.86 | 22994139.55 | 15947619.21 | |
| 2-Oxoglutaric acid | 82461811.22 | 10682054.52 | 45928629.86 | 93701246.32 | 110131325.94 | 113991942.18 | 158633431.12 | 107150917.16 | |
| (2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropa... | 92961062.61 | 222701855.06 | 87080165.78 | 57775661.14 | 76919412.98 | 39524072.04 | 87036998.49 | 47440650.01 | |
| 2-tert-Butyl-1,4-benzenediol | 3853254.97 | 5287086.84 | 2445721.03 | 6330014.45 | 4585992.52 | 5197153.36 | 4432995.69 | 2443900.30 | |
| 2-Tetrahydrothiopheneacetic acid | 1033101.36 | 1115966.23 | 1254988.40 | 5466600.18 | 4218120.36 | 1548726.40 | 4193921.28 | 2571067.61 | |
| 3,5-Dihydroxybenzoic acid | 17216876.31 | 20018116.67 | 15747827.95 | 12352303.19 | 21787190.07 | 24988171.49 | 12414414.08 | 25434741.61 | |
| 3, 5-Tetradecadiencarnitine | 4706261.18 | 13125074.38 | 4732327.30 | 19875123.06 | 13411145.44 | 15558376.02 | 11269712.97 | 5957139.62 | |
| 3-Carboxy-4-methyl-5-propyl-2-furanpropionate | 780242.31 | 121348.99 | 79126.36 | 349182.86 | 622663.06 | 495764.55 | 731922.66 | 176959.41 | |
| 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid | 3527200.66 | 1926106.74 | 3831604.90 | 3808726.94 | 4121304.73 | 4336196.32 | 4196504.69 | 3094359.04 | |
| 3-Hydroxymethylglutaric acid | 6726345.15 | 16345713.10 | 6372597.82 | 23584362.31 | 20971190.33 | 8934078.46 | 30982873.81 | 17846138.51 | |
| 3-Hydroxysebacic acid | 31581283.81 | 22408036.05 | 24524124.99 | 29220470.85 | 22203103.20 | 30022431.57 | 23575248.20 | 24745928.19 | |
| 3-Hydroxytetradecanedioic acid | 9202583.64 | 26792569.49 | 2594199.97 | 6018325.27 | 3324576.69 | 6075035.57 | 3259696.51 | 7665642.38 | |
| 3-Hydroxytetradecanoyl carnitine | 1031049.09 | 12281970.82 | 610582.89 | 11173753.54 | 1572232.27 | 4460647.36 | 1782021.12 | 706247.19 | |
| 3-Mercaptohexyl butyrate | 106551897.54 | 100003666.35 | 68246459.60 | 78134949.98 | 38017951.98 | 44229208.93 | 49277052.54 | 84058268.46 | |
| 3-Methylcyclohexanethiol | 1220581.74 | 739573.92 | 1059413.77 | 1271970.46 | 1690674.86 | 1421745.99 | 1418902.72 | 1209804.21 | |
| 3-Oxotetradecanoic acid | 7432513.06 | 278264187.74 | 16996425.21 | 111264922.68 | 61485765.93 | 68431681.65 | 57473194.10 | 29006219.07 | |
| 3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile | 72336.43 | 246712.05 | 322202.45 | 209543.00 | 273723.69 | 145659363.04 | 356747.99 | 200354.96 | |
| 3-Tert-Butyladipic acid | 26500736.58 | 49887356.98 | 21494820.72 | 56334999.66 | 47518989.10 | 30534258.13 | 47742732.75 | 39816729.01 | |
| 4-Guanidinobutanoic acid | 11077340.63 | 5074232.79 | 4847066.73 | 2939490.91 | 5286809.85 | 3393347.82 | 7561474.34 | 17167558.21 | |
| 4-Hydroxy-5-methyl-3(2H)-thiophenone | 5607431.80 | 6635060.18 | 6283546.98 | 7139342.99 | 9854786.81 | 7729363.96 | 6335378.07 | 5548602.06 | |
| 4-Hydroxybenzenesulfonic acid | 14402861.82 | 185074947.66 | 75396859.59 | 98709.45 | 151170287.39 | 34007442.34 | 120149659.31 | 150866951.06 | |
| 4-Hydroxycinnamic acid | 214918786.09 | 211336330.68 | 175218244.35 | 128914773.99 | 250112133.61 | 123838284.02 | 201574002.57 | 192588712.34 | |
| 4-Indolecarbaldehyde | 57238568.69 | 77230584.56 | 51553818.36 | 42822407.76 | 83992140.83 | 66906177.26 | 70075906.07 | 124127498.96 | |
| 4-Methylene-L-glutamine | 129264170.36 | 81123907.52 | 87777442.75 | 64541003.26 | 109993540.29 | 78866082.18 | 95438653.16 | 100105384.30 | |
| 4-Oxo-L-proline | 62222380.14 | 80517123.84 | 106714769.59 | 56406881.67 | 93957236.07 | 48754558.61 | 80292086.56 | 103491471.53 | |
| 4-Trimethylammoniobutanoic acid | 52983712.77 | 37494775.93 | 36835460.18 | 18519391.96 | 21892575.94 | 18542012.38 | 20406061.30 | 60788860.02 | |
| 4-Vinylphenol sulfate | 2441761.93 | 2507275.05 | 746695.52 | 3322896.58 | 3078933.38 | 1804853.93 | 1436336.03 | 2293856.43 | |
| 5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid | 78690.17 | 5710785.66 | 3121371.08 | 61710.01 | 1312020.84 | 381089.71 | 1293756.75 | 5498206.29 | |
| 5-Sulfosalicylic acid | 1936383.90 | 2184940.46 | 3004633.35 | 2550017.16 | 1762698.55 | 2407377.98 | 1949908.37 | 3383618.30 | |
| 6-Hydroxypseudooxynicotine | 3785598.05 | 6575867.59 | 7459135.14 | 3433178.32 | 2604894.56 | 4370843.31 | 3650564.16 | 9694548.93 | |
| 9(S)-HPODE | 17081945.58 | 325332849.85 | 19513600.25 | 93844741.82 | 29943586.33 | 31732116.96 | 49002580.91 | 50862581.37 | |
| A-12(13)-EpODE | 5100085.83 | 16186642.71 | 4225542.34 | 6952671.03 | 4059793.18 | 5964354.89 | 4795960.93 | 3973174.06 | |
| Acetylglycine | 34338286.36 | 22131199.25 | 20358671.92 | 24965631.39 | 36938066.70 | 23857864.35 | 34440954.26 | 38269948.04 | |
| Acetyl tributyl citrate | 798416.22 | 4229475.71 | 833035.40 | 2322391.18 | 1268843.82 | 1871415.42 | 1186661.13 | 1404474.62 | |
| Adenosine monophosphate | 4333849.24 | 3409896.38 | 116351693.76 | 3674496.44 | 4808120.89 | 2506363.91 | 8628283.41 | 6122270.51 | |
| Alanylglycine | 133626176.65 | 132861104.64 | 83136679.22 | 120969745.63 | 176535090.89 | 102672530.43 | 207359833.44 | 181133632.77 | |
| Allantoin | 79870271.34 | 112731913.43 | 134298470.21 | 145832189.44 | 206362301.66 | 112073425.37 | 133903885.63 | 191335176.47 | |
| all-trans-Retinoic acid | 9957158.75 | 7626798.62 | 6564132.00 | 9021485.57 | 7701527.81 | 8826223.88 | 10139371.15 | 6968254.24 | |
| Amidosulfonic acid | 6653270.77 | 7379841.41 | 7445657.34 | 14507853.01 | 15263117.92 | 11410874.25 | 22034517.09 | 14279351.91 | |
| Anethole | 824900.44 | 1720264.48 | 2280902.72 | 723282.10 | 543164.58 | 955114.66 | 662235.33 | 2828956.45 | |
| Artemether | 313552.99 | 401175.23 | 298012.28 | 338412.75 | 2390318.95 | 770606.87 | 809676.81 | 533452.91 | |
| Ascorbic acid | 124179822.60 | 4946031.51 | 6012914.07 | 116095398.59 | 127053755.24 | 67212870.22 | 228261551.70 | 72150380.17 | |
| Ascorbic acid 2-sulfate | 31064762.16 | 80685001.77 | 40217944.26 | 78701307.87 | 70854337.18 | 54319921.89 | 76127229.51 | 113943636.41 | |
| Aspartyl-L-proline | 3289033.61 | 1570239.42 | 2435971.00 | 4335950.38 | 11061048.59 | 3601876.31 | 6507242.99 | 4643617.64 | |
| Astilbin | 3819967.57 | 3059350.77 | 1638124.48 | 2089098.28 | 2872225.85 | 5014562.25 | 1276314.23 | 2728082.68 | |
| Avocadene 1-acetate | 4708589.36 | 8419558.48 | 6352730.22 | 8704348.24 | 12496403.75 | 7221911.97 | 14749420.17 | 15492424.81 | |
| Azelnidipine | 15183928.47 | 3503985.80 | 4154360.35 | 19620377.59 | 18325622.66 | 18879369.46 | 12088526.98 | 11105226.29 | |
| Bevenopran | 840826.71 | 1098562.76 | 520222.86 | 686227.20 | 953422.07 | 807045.76 | 410062.23 | 1098188.78 | |
| Bilirubin | 19856258.31 | 4495460.80 | 6424309.90 | 21709515.28 | 29057745.46 | 23765678.82 | 21858551.04 | 16468913.59 | |
| Bisoprolol | 1821443.55 | 5174792.26 | 1110324.14 | 5968784.75 | 2939862.19 | 4842981.53 | 2808434.44 | 1616789.07 | |
| Butopyronoxyl | 2681756.25 | 14265586.69 | 2777329.01 | 14289779.54 | 5263945.39 | 4263803.91 | 10470715.08 | 3188335.20 | |
| (+)-Calycanthine | 4647839.54 | 25219736.02 | 29438377.71 | 48130158.79 | 51112988.47 | 37244521.62 | 62615821.66 | 28440260.50 | |
| (±)-Camphoric acid | 696896.26 | 3680454.89 | 767484.54 | 10898125.06 | 2477984.09 | 2294227.83 | 4100265.58 | 1288750.99 | |
| Cascarillin | 6581826.74 | 8340108.24 | 9531013.90 | 5687565.17 | 3306311.85 | 7026877.42 | 6093504.15 | 10963205.49 | |
| Cedefingol | 19451445.34 | 21517326.79 | 13859581.47 | 15033450.67 | 20494088.05 | 17842162.51 | 18342295.65 | 26439937.60 | |
| Chenodeoxycholic acid | 967078.44 | 4879898.62 | 986659.31 | 1890353.19 | 1635490.77 | 1552686.27 | 1627363.22 | 6003155.21 | |
| Chlorpromazine | 785099.25 | 1915804.99 | 11846550.30 | 96164407.83 | 8080207124.10 | 2215298.28 | 2408103.84 | 5387709.33 | |
| Cholic acid | 19973527.46 | 39405028.99 | 10534004.85 | 21948205.44 | 29599098.14 | 6832639.60 | 22525693.43 | 94156099.03 | |
| Choline | 419935417.75 | 601861561.75 | 353888182.96 | 517154825.56 | 856389624.32 | 401964626.25 | 687292433.98 | 903376693.77 | |
| Ciclesonide | 5409888.50 | 3101554.56 | 2849549.12 | 4781700.36 | 3652164.28 | 4505677.63 | 5778348.55 | 3014851.31 | |
| CID 12910457 | 241444.40 | 243960.60 | 247488.18 | 226915.23 | 290456.08 | 233185.99 | 291408.91 | 264695.82 | |
| CID 134693179 | 1034071.53 | 7048118.22 | 74186.51 | 196885.70 | 916395.13 | 321562.66 | 245624.74 | 2712971.89 | |
| Cinnamoylglycine | 63749502.86 | 70529594.70 | 41354780.30 | 44367801.15 | 88914648.53 | 77873149.28 | 74702290.41 | 107647593.34 | |
| cis-4-Decenedioic acid | 8487938.37 | 28786283.19 | 6024291.35 | 29304708.60 | 17878626.49 | 13456465.79 | 27633500.23 | 12524498.50 | |
| cis-5-Tetradecenoylcarnitine | 10316022.25 | 67071970.97 | 13998745.95 | 93140909.54 | 68989661.35 | 63079081.62 | 54865813.55 | 22605177.44 | |
| Citric acid | 484128922.00 | 843878588.16 | 624310661.03 | 1000569337.95 | 1355980574.44 | 824887397.31 | 1641465480.70 | 1521659320.47 | |
| Citrulline | 311746652.64 | 297410157.73 | 241130265.20 | 160466139.73 | 236641721.31 | 216380021.03 | 220303193.88 | 259633583.78 | |
| Clozapine | 8164617.38 | 1796565.47 | 1825223.64 | 11989414870.10 | 3879336.27 | 15750981.65 | 11352682.52 | 1641748.42 | |
| Clozapine N-oxide | 804534.64 | 934766.81 | 1278578.44 | 613803016.56 | 1111305.01 | 821831.43 | 1525961.44 | 945772.09 | |
| Creatine | 950625815.29 | 566959433.68 | 969164967.16 | 401668164.76 | 972058093.48 | 410224545.33 | 732293298.03 | 775768390.28 | |
| Creatinine | 39695065.31 | 34019098.50 | 85220995.28 | 62710470.76 | 60291906.94 | 58496575.81 | 59691429.21 | 68105809.58 | |
| Cytosine | 18896895.21 | 16958248.99 | 17319401.02 | 37530748.98 | 27035421.24 | 22202259.65 | 33718932.20 | 21635144.46 | |
| dacisteine | 1642993.05 | 1460199.43 | 691744.92 | 5746939.05 | 5068573.61 | 5476717.96 | 6535582.31 | 4318000.54 | |
| Daidzein | 6838245.42 | 1934677.15 | 4135188.80 | 2105439.95 | 5800440.02 | 3834576.59 | 2618316.51 | 4998412.27 | |
| Deoxyuridine | 17210836.21 | 6996535.29 | 11748707.65 | 14139056.24 | 15473713.36 | 12838442.43 | 16452752.49 | 9730173.14 | |
| D-Glucuronic acid | 308790723.04 | 14410540.33 | 19105246.90 | 366800502.93 | 287625148.86 | 208225711.37 | 549662598.65 | 208320642.81 | |
| DIBOA-Glc | 2960297.24 | 1936372.37 | 2128012.72 | 495934.47 | 495665.49 | 1288672.11 | 796765.53 | 700297.46 | |
| Dibutyl malate | 1613710.18 | 23211608.27 | 766193.07 | 2115997.42 | 2021559.39 | 1663554.97 | 1451364.70 | 1931362.05 | |
| Dibutyl phthalate | 10052786.68 | 3813630.14 | 682414.91 | 9187376.34 | 14110085.61 | 8944337.08 | 13219297.52 | 1153283.36 | |
| Diethyl pyrocarbonate | 60817886.31 | 42257203.09 | 76209086.84 | 66857931.54 | 75584488.74 | 70908796.01 | 81408668.87 | 58278146.89 | |
| Dihexyverine | 3103268.32 | 3423930.37 | 3320853.69 | 3166171.11 | 3919109.40 | 3236437.37 | 5890935.95 | 4154863.26 | |
| Dihydromethysticin | 1224583.88 | 2407678.29 | 3230077.78 | 1021655.85 | 693869.00 | 1228830.96 | 1226150.52 | 3672772.83 | |
| Dihydroroseoside | 4192149.39 | 4133635.87 | 3353776.61 | 8445337.89 | 6628078.09 | 7635395.26 | 3603214.96 | 2590058.55 | |
| Diphenol glucuronide | 3827945.65 | 3769894.51 | 4384536.11 | 1297953.18 | 3708628.00 | 3773226.59 | 1077302.87 | 4503850.91 | |
| DL-Glutamate | 14996855.30 | 12917178.06 | 9556958.30 | 10600577.46 | 23795346.84 | 10842279.89 | 17910996.18 | 16905120.53 | |
| D-Mannose | 6309617691.40 | 5354704990.30 | 8058982907.50 | 6755427729.70 | 7400866910.60 | 8054236249.70 | 8509649617.00 | 5955177852.60 | |
| Docosahexaenoic acid | 145050642.24 | 274146034.27 | 251608358.17 | 209732014.51 | 283752438.89 | 191259316.60 | 221663985.48 | 235732992.00 | |
| Dodecanedioic acid | 21991586.58 | 64773661.10 | 8950706.60 | 31277736.83 | 32655055.67 | 26167099.25 | 30297866.91 | 46737940.35 | |
| Dolichol phosphate | 3766647.27 | 3913850.47 | 6153433.18 | 3581975.85 | 2721611.24 | 3833758.82 | 3929201.74 | 7184502.80 | |
| D-Phenyllactic acid | 18641368.02 | 20693942.49 | 25985533.30 | 37395579.28 | 26479058.40 | 21832652.03 | 37418781.33 | 42958708.21 | |
| D-Proline | 341069415.17 | 341984917.14 | 293066337.76 | 179534283.03 | 414494178.51 | 195423053.35 | 256457148.01 | 403424069.38 | |
| D-Xylonic acid | 91952988.80 | 65059906.99 | 106886737.34 | 93772556.64 | 125480466.87 | 120413491.24 | 124592424.46 | 101526046.70 | |
| Ecgonine | 2508693.84 | 10864476.83 | 2851584.85 | 12358472.44 | 11128881.91 | 5728996.09 | 10459332.05 | 5376132.67 | |
| Ectoine | 103902333.88 | 17560321.09 | 11883803.91 | 21695627.00 | 83270490.28 | 56678291.69 | 34030436.19 | 80998277.82 | |
| Enviradene | 227329.12 | 282971.25 | 309657.45 | 210690.47 | 292435.55 | 244582.31 | 415136.79 | 313662.10 | |
| Ethyl glucuronide | 12504263.76 | 13922527.97 | 18305551.58 | 11849638.47 | 8722419.34 | 13878418.17 | 8811055.16 | 18406728.79 | |
| Ethyl vanillin isobutyrate | 8951066.48 | 14502117.53 | 18591481.62 | 7938311.97 | 5702618.27 | 9117241.22 | 7440211.23 | 21514037.90 | |
| Fagomine | 42788354.63 | 34031091.70 | 41575024.55 | 43663572.67 | 54578943.44 | 39426028.12 | 51213842.35 | 40455087.87 | |
| Fenethazine | 361661.55 | 297748.21 | 310184.85 | 325894.72 | 1481875.21 | 368183.92 | 360036.33 | 333203.22 | |
| Floionolic acid | 441698.05 | 1777565.66 | 834866.00 | 428202.87 | 426373.13 | 1029049.71 | 326007.61 | 1376803.03 | |
| Formiminoglutamic acid | 3243720.67 | 689571.06 | 2402291.47 | 1868333.89 | 2411356.52 | 2875569.47 | 2929056.52 | 1271925.42 | |
| Fumaric acid | 15185244.97 | 5986985.14 | 8646997.86 | 14148203.52 | 23809764.21 | 17939694.78 | 34962664.02 | 32957466.72 | |
| (±)-Furaneol | 483933.97 | 831466.28 | 398009.02 | 517665.16 | 847077.90 | 473952.34 | 686246.04 | 572001.33 | |
| Galactitol | 3254440.07 | 4033852.62 | 4527242.43 | 7236167.89 | 13674069.15 | 4433790.39 | 14891059.30 | 18619447.30 | |
| Genistein | 2876150.14 | 1309355.56 | 2584508.34 | 2211658.47 | 3722169.77 | 4215825.42 | 1721399.38 | 3306969.42 | |
| Gluconic acid | 57538104.55 | 62629602.04 | 66699425.54 | 104535704.14 | 192132582.42 | 113105845.85 | 202922150.99 | 93552636.24 | |
| Glu-Gly | 9261197.83 | 4869095.85 | 6223279.05 | 5317798.24 | 14280278.77 | 6410835.98 | 9602102.38 | 7916526.52 | |
| Glutamylglutamic acid | 3724091.15 | 2090125.20 | 2738106.10 | 4241847.48 | 8730953.61 | 4428272.83 | 7459685.44 | 4876556.16 | |
| Glutamylmethionine | 44087381.99 | 15976346.06 | 16033508.51 | 13373225.08 | 28423466.24 | 29727652.38 | 29194797.27 | 26464599.32 | |
| Glutamylserine | 3200923.43 | 5073145.51 | 4812702.78 | 4524230.17 | 5562147.21 | 3227577.83 | 8005398.39 | 4707028.67 | |
| Glutamylthreonine | 3494630.90 | 1313612.94 | 2292049.31 | 1334537.45 | 3592812.91 | 2987465.50 | 3298393.15 | 2494094.01 | |
| Glutaric acid | 1953153.34 | 2845533.41 | 3401886.59 | 3262994.76 | 4513604.16 | 2679081.14 | 3961786.18 | 3201206.65 | |
| Glycerol | 6609389.35 | 7811993.68 | 6469251.50 | 12015277.59 | 14018830.13 | 10451492.41 | 10204684.28 | 9079884.63 | |
| Glycerol tributanoate | 126122.94 | 573157.28 | 171112.52 | 1571663.08 | 365680.18 | 135133.83 | 532529.50 | 198871.12 | |
| Glycocholic acid | 8126208.61 | 743771.83 | 390659.97 | 1643003.64 | 6827352.00 | 4192525.64 | 8959722.18 | 997131.84 | |
| Glycyl-L-leucine | 8589505.91 | 3837491.56 | 6293944.23 | 11125799.67 | 15085651.47 | 9130518.97 | 14740139.67 | 7994072.13 | |
| Glycylproline | 4738472.60 | 3597283.77 | 2827089.78 | 5631885.16 | 8643153.63 | 5821755.83 | 7864352.77 | 5850762.70 | |
| Hexadecanedioic acid | 2964322.71 | 177166404.34 | 2788438.32 | 46543418.38 | 14639791.61 | 10763984.60 | 30602313.37 | 11938611.29 | |
| Hexanamide | 2345941.48 | 4367044.43 | 8177140.50 | 27376163.95 | 4945212.72 | 9689181.78 | 24028619.61 | 7679850.29 | |
| Hexanoylglycine | 73746850.73 | 164033806.70 | 84468235.67 | 328198259.70 | 135258087.10 | 169151870.67 | 206849272.09 | 117113518.85 | |
| Hippuric acid | 174189117.12 | 289653249.42 | 160749660.81 | 120408096.30 | 230489018.11 | 216467987.59 | 161235435.31 | 619526148.69 | |
| Histamine | 15592141.01 | 3028838.83 | 7432916.80 | 3281261.04 | 2949204.08 | 2095263.13 | 1835421.38 | 2443180.26 | |
| Hypoxanthine | 26510706.27 | 30435111.03 | 41022176.67 | 30137612.08 | 28049705.30 | 28630312.27 | 57733430.68 | 39540191.53 | |
| Indole | 2272951.05 | 4169543.95 | 2365764.14 | 1562531.95 | 3530044.04 | 2997203.85 | 3653823.73 | 9654128.96 | |
| Indoleacrylic acid | 2596481.73 | 3605670.60 | 1977889.62 | 4350250.29 | 3119248.76 | 3873896.32 | 5356812.39 | 8773477.58 | |
| Indolelactic acid | 60009595.05 | 81637958.97 | 104517114.83 | 154074183.48 | 146601171.96 | 104958900.76 | 182538359.91 | 239473048.35 | |
| Indoxyl sulfate | 104530772.30 | 319871856.51 | 131156250.15 | 38661647.38 | 317046987.49 | 207426863.99 | 113350454.92 | 390172052.87 | |
| Isobutyrylglycine | 54917890.14 | 67007137.67 | 13279201.24 | 87220455.50 | 97567603.33 | 75501216.50 | 103970156.08 | 181841835.19 | |
| Itaconic acid | 317785330.74 | 28174394.63 | 19173589.77 | 384710389.24 | 297453317.49 | 220772974.92 | 583642260.74 | 226945841.22 | |
| Kyotorphin | 5077523.76 | 5165043.67 | 6785936.83 | 4962169.72 | 2921372.14 | 5485485.95 | 4699831.30 | 7743176.38 | |
| L-Acetylcarnitine | 646348582.53 | 513601524.37 | 356572112.88 | 421879428.74 | 243858055.87 | 223172725.10 | 240139009.09 | 526738510.78 | |
| L-Arginine | 470398275.49 | 422759864.00 | 425769848.53 | 229303128.24 | 385174865.30 | 321051684.92 | 274122997.48 | 390633376.51 | |
| L-Asparagine | 25483233.08 | 39671764.26 | 32158129.97 | 36821568.09 | 54553727.89 | 47431985.43 | 84127669.95 | 45105850.69 | |
| L-Carnitine | 940445811.81 | 471871377.51 | 662876961.41 | 387613807.20 | 339700391.95 | 452019663.50 | 367515479.53 | 458020297.32 | |
| Leucyl-Glutamate | 42862030.93 | 20340208.30 | 28311820.13 | 20840762.53 | 40858263.46 | 27032527.53 | 45444282.77 | 32931934.43 | |
| Leucylproline | 530965.68 | 1250221.57 | 1929847.72 | 527908.17 | 14030723.15 | 531636.96 | 4842466.30 | 3340315.63 | |
| Levulinic acid | 3079905.17 | 5112839.83 | 6108347.02 | 2718599.55 | 1819969.98 | 3306843.25 | 2980096.18 | 7903696.97 | |
| L-Glutamine | 523643883.58 | 568146080.98 | 357036003.12 | 379124521.79 | 427405672.09 | 332044909.11 | 420987461.88 | 670494153.69 | |
| L-Histidine | 120116088.80 | 138460366.86 | 103388902.06 | 93610019.16 | 143635719.30 | 73910083.97 | 126117772.22 | 124409891.82 | |
| L-Lysine | 595967122.20 | 826807584.35 | 481829258.46 | 349339967.92 | 596531732.96 | 365852108.43 | 451314126.84 | 676644258.20 | |
| L-Methionine | 1062199791.10 | 903295092.13 | 701920369.23 | 456539375.47 | 893501594.30 | 613317048.04 | 664069625.02 | 813115883.43 | |
| Lopinavir | 39611498.96 | 34838970.19 | 28786139.88 | 38171848.26 | 28152343.08 | 38208279.05 | 41278919.64 | 32981011.80 | |
| Loxoprofen | 16625430.69 | 16849355.50 | 16622177.85 | 11763783.13 | 13081612.53 | 13792747.37 | 21019526.11 | 16634420.64 | |
| L-Phenylalanine | 448794.42 | 1142813.15 | 300832.34 | 966353.86 | 632213.35 | 536850.29 | 935297.92 | 840994.56 | |
| L-Prolinamide | 436145622.71 | 605133577.10 | 358507506.90 | 260767714.82 | 450523719.00 | 272638780.66 | 323518230.03 | 505410788.93 | |
| L-Serine | 338033463.70 | 361909319.06 | 251371699.13 | 256522206.54 | 289575204.43 | 229928731.92 | 287095090.18 | 425285294.44 | |
| L-Threonine | 72718562.90 | 75957884.07 | 54939017.37 | 22973785.11 | 49238401.34 | 36870285.80 | 35205102.15 | 59679432.49 | |
| L-Tyrosine | 217863147.35 | 212739487.43 | 175804215.47 | 128261320.67 | 250713346.40 | 124109871.64 | 201502527.94 | 193980758.64 | |
| Lunacalcipol | 29975390.48 | 24218157.41 | 25221517.36 | 29020142.14 | 22823643.09 | 26540890.23 | 36026266.51 | 29328949.97 | |
| Lusitanicoside | 1143728.94 | 4758277.16 | 903957.71 | 829366.93 | 1509242.92 | 1068848.22 | 1013184.44 | 2262768.29 | |
| L-Valine | 2071637405.20 | 1842671225.12 | 1356367050.40 | 1122486557.54 | 1589804544.70 | 1225235746.20 | 1603567568.83 | 1754290933.10 | |
| LysoPC(0:0/18:1(9Z)) | 513486419.31 | 554190696.14 | 585878344.29 | 693152703.85 | 477900389.36 | 659463961.04 | 665286814.53 | 668061445.75 | |
| LysoPC(16:1(9Z)/0:0) | 539253482.30 | 673261554.04 | 490604307.46 | 976836859.40 | 714899022.18 | 807809546.65 | 813451224.77 | 649339143.03 | |
| LysoPC(18:2(9Z,12Z)/0:0) | 8583429982.90 | 8032532705.70 | 7099784769.50 | 7210034801.90 | 7760664826.90 | 7808778622.90 | 7339187750.70 | 6681014994.90 | |
| LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 170450091.31 | 255906356.58 | 219267995.70 | 153717289.40 | 155336714.29 | 231829548.20 | 134616535.90 | 218949306.40 | |
| LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) | 59979540.21 | 51615364.27 | 36216890.25 | 69773873.14 | 71860995.31 | 65155764.94 | 27959909.09 | 51195486.22 | |
| LysoPC(P-16:0/0:0) | 18687859.28 | 20435146.21 | 16257640.83 | 17155562.18 | 24549908.54 | 17490172.15 | 25025890.43 | 15670468.72 | |
| LysoPC(P-18:0/0:0) | 64115535.67 | 66746284.39 | 50978445.52 | 50493378.04 | 73070963.39 | 60855595.26 | 73072216.75 | 57653772.80 | |
| LysoPE(18:1(9Z)/0:0) | 196119627.48 | 207223030.70 | 170093005.51 | 151953815.98 | 227879611.13 | 170563088.86 | 213691120.32 | 158487194.11 | |
| LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0) | 257892726.14 | 319004152.16 | 310185574.06 | 266511471.24 | 307689703.28 | 262464372.65 | 209289905.31 | 299513130.01 | |
| Menadiol | 47864595.25 | 81858290.94 | 86682180.92 | 46765224.40 | 30708813.82 | 48331103.33 | 57901533.95 | 118149062.27 | |
| Menadione | 6475537.24 | 5023859.42 | 6109434.26 | 5547818.50 | 2384221.53 | 5932880.26 | 2771487.99 | 8256921.43 | |
| Meprobamate | 1131596.50 | 452321.77 | 854060.63 | 924419.28 | 1020768.21 | 1331442.22 | 1194162.86 | 1022096.42 | |
| Methacholine | 94069376.78 | 45069396.44 | 33361527.77 | 37210900.48 | 46508484.55 | 29988144.74 | 39366622.30 | 57884797.77 | |
| Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate | 343792.58 | 4708273.54 | 495601.40 | 5317938.43 | 1616334.06 | 1058440.05 | 1522804.67 | 854080.97 | |
| Methyl jasmonate | 5307883.74 | 9469189.48 | 3162207.18 | 9459027.43 | 5171556.20 | 7241093.38 | 4959607.83 | 4433002.02 | |
| Mexiletine | 4720232.72 | 7106213.80 | 3653276.35 | 9422292.55 | 9798238.22 | 7736293.42 | 7236740.12 | 3039344.05 | |
| Minaprine | 1525667.92 | 1041077.90 | 835486.59 | 743414.18 | 611110.57 | 900655.54 | 727473.54 | 573858.84 | |
| Muscimol | 1118334580.10 | 777126553.11 | 1010819414.05 | 518105876.58 | 1104208724.45 | 464516022.96 | 800047459.17 | 978819875.45 | |
| N1-Acetylspermidine | 7828021.61 | 6128885.18 | 6939119.91 | 27480317.11 | 40807912.85 | 13863212.55 | 23910970.89 | 15046314.53 | |
| N2-Acetylornithine | 32833102.18 | 23356837.85 | 18508694.25 | 26652078.92 | 25434438.61 | 24696670.74 | 23065881.23 | 19789198.48 | |
| N-a-Acetyl-L-arginine | 34917876.61 | 27337082.49 | 29294153.80 | 9896879.87 | 37547809.54 | 11256939.49 | 43015529.87 | 23240324.41 | |
| Nabilone | 7220188.96 | 13838961.65 | 3675866.30 | 7988366.94 | 10485686.19 | 2819024.67 | 7606150.50 | 32920331.52 | |
| N-Acetylglutamine | 6980179.16 | 9082549.62 | 5615429.56 | 8039038.77 | 19270373.44 | 8027273.99 | 14638106.51 | 11854969.45 | |
| N-Acetyl-L-alanine | 9703897.40 | 7099498.56 | 8061255.31 | 9817661.06 | 17114917.22 | 10172400.69 | 16239875.49 | 11748241.37 | |
| N-Acetyl-L-phenylalanine | 41396650.26 | 110431645.72 | 25729323.14 | 86976855.05 | 56979733.74 | 48657131.68 | 89393401.74 | 76933001.69 | |
| N-Acetyl-L-tyrosine | 7043851.70 | 29103795.56 | 6005148.88 | 11897597.62 | 10700772.16 | 6118846.56 | 14261109.10 | 16310655.96 | |
| N-Acetylserine | 162105454.52 | 121918788.28 | 85710774.80 | 65059787.38 | 102523648.47 | 69045593.23 | 82378447.58 | 156000062.55 | |
| N-Acetyltaurine | 4484419.91 | 6221204.64 | 5037217.23 | 8321545.16 | 8144714.58 | 8474569.13 | 10128066.32 | 11552279.66 | |
| N-gamma-Glutamylglutamine | 32474757.46 | 14721304.28 | 14902873.76 | 20056511.83 | 36475685.30 | 22545755.84 | 30765824.38 | 34694563.04 | |
| Nicotinic acid | 1488134.12 | 1319125.10 | 2103106.04 | 2436936.64 | 2363289.09 | 1649554.54 | 2007925.53 | 1837949.10 | |
| N-Isovalerylglycine | 52957920.92 | 58422194.46 | 29738590.80 | 54985618.94 | 96664463.70 | 49605438.52 | 88275531.76 | 94227565.94 | |
| N-Stearoyl tyrosine | 6968292.09 | 18430251.80 | 5256245.24 | 17654814.14 | 18142785.50 | 14406002.05 | 12497218.99 | 10021505.49 | |
| Octadecanamide | 21195607.39 | 133766203.70 | 182837235.78 | 18574111.98 | 10118855.16 | 18867480.84 | 12233265.96 | 236217535.37 | |
| Octanoylglucuronide | 45157604.27 | 30170557.44 | 42332177.36 | 40759785.36 | 30342527.96 | 48223604.35 | 34606530.56 | 43149274.06 | |
| Olanzapine | 3309566.54 | 33946494.33 | 52197017.09 | 31606024.35 | 20837980.24 | 8879914556.10 | 12945082.31 | 32475570.32 | |
| Oleamide | 198888339.60 | 293353081.65 | 194392486.59 | 196204711.91 | 234179458.96 | 232980573.69 | 242662599.24 | 155703857.11 | |
| Oleandolide | 75043085.43 | 65096736.87 | 116463543.24 | 62175700.29 | 120907750.13 | 45509433.29 | 67012982.45 | 51202934.78 | |
| Oleic acid | 545677.07 | 3678702.40 | 562862.20 | 2649146.80 | 1759824.30 | 1611214.62 | 2930524.97 | 925273.56 | |
| Oleoylethanolamide | 7685130.59 | 81727059.56 | 153375999.67 | 8177308.98 | 5067743.35 | 8080865.10 | 1287105.99 | 207730605.78 | |
| Ophthalmic acid | 6668170.09 | 1585126.86 | 2702611.43 | 8061330.75 | 10869648.92 | 5887259.07 | 20038386.61 | 5202459.56 | |
| Oxidized glutathione | 320558128.77 | 147910519.09 | 123532925.94 | 295050998.07 | 503418540.84 | 334734195.64 | 782170424.21 | 326280676.78 | |
| Oxoadipic acid | 8633590.32 | 9097874.55 | 15189927.69 | 6991160.58 | 5208121.31 | 12137504.61 | 14163507.55 | 14120461.65 | |
| Oxoglutaric acid | 9432176.51 | 17603682.17 | 13888867.20 | 19190006.78 | 25202756.70 | 14152820.71 | 26894300.42 | 29559862.16 | |
| Oxybuprocaine | 1380591.94 | 2946850.44 | 1428764.72 | 1025056.81 | 1824758.52 | 2171522.44 | 1819115.60 | 3070219.63 | |
| Palmitic acid | 4025137246.00 | 1007218992.64 | 223509397.90 | 3570767155.60 | 4102712295.50 | 3575939838.60 | 4795633812.30 | 343643460.76 | |
| Palmitic amide | 55906330.24 | 364105570.60 | 411994782.45 | 40207877.90 | 43732819.78 | 50564942.95 | 68774763.82 | 685353711.48 | |
| Palmitoleic acid | 34800754.92 | 62835077.08 | 50193791.56 | 70506943.44 | 36283662.99 | 83333955.18 | 48450673.64 | 50632045.27 | |
| Palmitoylethanolamide | 140504947.07 | 36187322.28 | 5859620.56 | 137996348.35 | 174718520.97 | 138722751.80 | 232588115.51 | 9788613.15 | |
| Paraldehyde | 8476475.02 | 9914947.56 | 11134006.78 | 7688646.90 | 5338968.34 | 8899715.28 | 8678845.34 | 13663517.49 | |
| Paucine | 2370538.93 | 5570572.84 | 7349152.01 | 1886225.13 | 1442109.54 | 2723243.33 | 1846442.29 | 9087381.37 | |
| PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 31124507.29 | 26457688.62 | 27888529.10 | 30283836.89 | 27367453.29 | 34885561.31 | 39853008.59 | 26530018.34 | |
| Pentamidine | 6173507.49 | 3979419.54 | 1388858.41 | 6657085.90 | 8944188.41 | 6565705.69 | 9381865.97 | 2483188.88 | |
| Phenotype 1 | - | - | - | - | - | - | - | - | |
| Phenotype 2 | - | - | - | - | - | - | - | - | |
| Phenotype 3 | - | - | - | - | - | - | - | - | |
| Phenylacetaldehyde | 18636857.74 | 25267399.58 | 25656687.50 | 36704229.94 | 26111214.25 | 21446786.42 | 37084666.37 | 44038147.80 | |
| Phenylacetylglycine | 93967208.81 | 143567623.93 | 70231356.23 | 88942134.19 | 80491943.23 | 71267091.64 | 97281194.33 | 122426742.65 | |
| Phenylhydrazine | 10977036.96 | 3400085.00 | 15081876.23 | 3479956.39 | 12035954.78 | 3925212.55 | 4879204.95 | 14975511.06 | |
| Phosphoric acid | 166033637.51 | 287936777.28 | 78130343.36 | 188314731.91 | 196518495.84 | 104064538.90 | 279456953.13 | 261846999.56 | |
| Picrocrocin | 920197.30 | 1137414.65 | 908574.78 | 1396547.43 | 1398837.80 | 1304800.33 | 1556309.70 | 1130628.46 | |
| Pimilprost | 4336383.93 | 40467147.36 | 54427680.77 | 11142039.27 | 5927566.84 | 2989498.65 | 7512708.33 | 66420169.06 | |
| Pipazethate | 374084.37 | 464432.93 | 997407.73 | 1273480.93 | 1286095.53 | 388717.26 | 761575.37 | 489788.35 | |
| Pipecolic acid | 27506460.48 | 24318519.14 | 24778272.80 | 26222699.95 | 41309809.72 | 24854511.14 | 29822405.57 | 26746152.38 | |
| Pivagabine | 13907943.93 | 18071035.68 | 9455862.06 | 35863510.70 | 41141295.09 | 21240009.06 | 43097077.69 | 38510930.27 | |
| Platelet-activating factor | 5920131545.90 | 5583334749.70 | 5047168449.90 | 4663401594.70 | 5967377027.80 | 5781412305.60 | 5394179834.30 | 5257347899.60 | |
| Plazomicin | 29632041.62 | 24193522.02 | 22183037.63 | 31761749.30 | 24152433.97 | 26896849.07 | 32690400.32 | 26675644.34 | |
| Pregabalin | 789371486.31 | 443253878.35 | 329231289.04 | 384799094.24 | 355427633.98 | 333058513.62 | 358252972.50 | 466798596.49 | |
| Probucol | 26096204.85 | 30965560.05 | 32237806.64 | 27852012.60 | 17407335.78 | 22984381.06 | 26961186.92 | 39372075.72 | |
| Prohydrojasmon | 4926271.48 | 26438270.63 | 7840182.82 | 25273269.27 | 19713032.59 | 10309009.31 | 15612019.74 | 6391344.62 | |
| Proline | 69563973.03 | 64847477.16 | 53329035.89 | 31745069.22 | 58612701.26 | 31001296.60 | 41512410.99 | 52710800.51 | |
| Proline betaine | 827634.19 | 1487829.54 | 1191954.25 | 1056917.44 | 1060830.50 | 864599.53 | 1205263.50 | 1575067.00 | |
| Promazine 5-sulfoxide | 330919.82 | 258472.68 | 267698.13 | 312888.69 | 50418771.81 | 295175.83 | 439807.16 | 290599.65 | |
| Promethazine sulfoxide | 119250.29 | 176412.13 | 186266.02 | 162634.65 | 11656629.11 | 119118.45 | 300319.65 | 188333.51 | |
| Propionylcarnitine | 2468686.22 | 22049538.73 | 4591565.30 | 26420493.56 | 18338394.29 | 10203178.36 | 17875426.38 | 7021288.19 | |
| Propofol | 609789.17 | 1184302.40 | 402530.51 | 3013653.07 | 1953126.02 | 1476750.69 | 1751761.05 | 870677.64 | |
| Prostaglandin G2 2-glyceryl Ester | 56045848.63 | 13300555.60 | 2730673.40 | 48721616.56 | 77154130.26 | 52788790.56 | 87798064.67 | 3447191.45 | |
| Protodioscin | 2722856.41 | 1719898.02 | 2225961.81 | 2607864.50 | 2094184.67 | 3238464.59 | 2499422.99 | 2063599.76 | |
| PS(16:0/16:1(9Z)) | 685208.41 | 20508801.56 | 932371.40 | 10060439.02 | 3389508.09 | 3941532.23 | 4073196.98 | 1617320.68 | |
| Purine | 96654532.90 | 64791589.02 | 104181023.59 | 118756984.03 | 149860587.63 | 146165137.80 | 160939141.62 | 106060282.45 | |
| Putrescine | 2229701.63 | 2064393.79 | 1353821.46 | 1544067.87 | 2566617.76 | 1312748.24 | 2291002.10 | 2338159.14 | |
| Pyrogallol | 16403109.09 | 12588146.21 | 28167831.83 | 13054031.38 | 25511920.04 | 18171457.58 | 25917362.39 | 16725545.56 | |
| Pyrogallol-2-O-sulphate | 888886.68 | 1766087.07 | 1336248.04 | 294195.37 | 9210023.41 | 3129185.68 | 351347.49 | 3150545.81 | |
| Quercitrin | 1646237.86 | 4068355.75 | 1719641.45 | 1719390.33 | 1524860.82 | 2615606.16 | 1083658.76 | 1399012.84 | |
| Quetiapine | 8866190.64 | 26561048.68 | 1058655899.14 | 465957705.78 | 28472328.57 | 19616714.17 | 21087027.72 | 20895866.36 | |
| (R)-3-hydroxybutyrylcarnitine | 9540351.58 | 13841565.89 | 6388872.44 | 11058895.02 | 4732191.61 | 3972988.14 | 7939768.24 | 16472569.26 | |
| (R)-3-Hydroxydecanoic acid | 11005112.61 | 20463946.31 | 3976523.74 | 8110962.96 | 4105814.50 | 7205927.62 | 4546797.55 | 6210650.84 | |
| (R)-3-Hydroxy myristic acid | 1671876.22 | 45733054.37 | 3430035.70 | 8842536.32 | 9189867.43 | 8029572.78 | 7579707.04 | 5712013.23 | |
| Ribothymidine | 23227296.66 | 11005465.14 | 11017043.66 | 15349650.55 | 30044547.64 | 17281367.24 | 24863870.54 | 25794485.25 | |
| Ribulose-5-phosphate | 13220658.22 | 8198928.86 | 15194151.38 | 10230593.27 | 10349761.44 | 6859770.65 | 14332287.50 | 8750813.46 | |
| Risperidone | 8335436.44 | 7221273.01 | 8840739.77 | 8650736.26 | 5567635.83 | 8086265.87 | 8394940.51 | 10361907.93 | |
| (S)-10,16-Dihydroxyhexadecanoic acid | 562451.33 | 3126338.40 | 985554.61 | 1945929.08 | 1425559.54 | 1952787.65 | 1823208.20 | 1586912.89 | |
| S-2-Propenyl propanethioate | 13721505.42 | 14351347.83 | 10087692.43 | 7644465.62 | 10781604.04 | 7744285.43 | 9557435.49 | 16271241.43 | |
| (S)-9-Hydroxy-10-undecenoic acid | 562860.84 | 2199051.55 | 355853.89 | 1039376.22 | 626680.82 | 549014.55 | 621949.90 | 601041.94 | |
| Salbutamol | 4224484.76 | 5005337.15 | 3444842.49 | 7852084.58 | 8608692.56 | 6649727.39 | 6115131.66 | 2523905.65 | |
| Salicylic acid | 17139183.81 | 10949946.40 | 6715866.14 | 6811108.15 | 9010132.51 | 10178563.22 | 6054878.62 | 14341916.84 | |
| Salicyluric acid | 2669763.23 | 2212650.71 | 1506313.95 | 1940866.66 | 5203631.44 | 2940637.24 | 2639896.46 | 8172568.57 | |
| S-Allylcysteine | 5952789.10 | 5050550.79 | 2386069.95 | 8153084.34 | 11165374.61 | 8908828.21 | 13610632.09 | 6442190.91 | |
| Secobarbital | 83140807.52 | 51526111.88 | 45844593.47 | 81315604.24 | 61542155.00 | 74654065.87 | 91049818.21 | 49643707.33 | |
| Secoisolariciresinol | 1689946.04 | 5243494.22 | 7155032.58 | 1530533.62 | 1286345.03 | 1714160.88 | 1455827.87 | 8240689.61 | |
| Sorbitan laurate | 2122707.24 | 84046215.73 | 2863436.23 | 5309642.31 | 7947999.71 | 2886157.36 | 5062189.79 | 32875390.54 | |
| Soyasaponin I | 12986326.58 | 23870637.42 | 30978587.48 | 10959055.47 | 10178597.25 | 15106789.80 | 11622668.48 | 38535309.39 | |
| Spermidine | 44500253.02 | 11556078.65 | 37264875.09 | 12419419.85 | 37010921.78 | 9250870.88 | 15355803.99 | 28505706.36 | |
| Sphinganine 1-phosphate | 37609062.29 | 37943137.03 | 20212440.63 | 29883478.14 | 42242666.92 | 35282613.72 | 36655201.78 | 49176671.89 | |
| Sphingosine 1-phosphate | 209682574.30 | 250570079.67 | 106118542.39 | 158537162.73 | 179532887.51 | 191248027.46 | 160111287.18 | 232961745.62 | |
| Stearoylcarnitine | 13991421.35 | 31857910.89 | 12525688.67 | 42624472.15 | 33811835.55 | 19325132.17 | 33623142.46 | 14808592.95 | |
| Succinic acid | 593261354.81 | 447025489.21 | 93445273.43 | 1216754775.61 | 1587709116.33 | 1365700007.95 | 2840311501.30 | 1406307944.91 | |
| Succinic anhydride | 3983585.03 | 3005061.58 | 854743.80 | 9585101.90 | 18029871.63 | 11449251.20 | 28422071.04 | 16877177.75 | |
| Sucrose | 8063578.72 | 5823103.33 | 29422717.25 | 12858013.23 | 51567288.56 | 17038270.90 | 31853392.40 | 12836128.70 | |
| Sulfoglycolithocholate(2-) | 4047146.50 | 9087012.41 | 4954098.81 | 4366113.06 | 4295078.84 | 4586290.50 | 4261831.69 | 15326232.67 | |
| Suprofen | 4756763.06 | 4571764.58 | 3361583.69 | 4724299.62 | 5949876.58 | 4264350.44 | 4688383.97 | 11604801.74 | |
| Taurine | 250739746.69 | 427466035.52 | 196768884.25 | 147396672.04 | 202249874.81 | 127452725.90 | 123603276.52 | 249299088.90 | |
| Tentoxin | 28126928.41 | 18563592.60 | 14086350.89 | 27371018.00 | 23211254.97 | 25595339.19 | 32602954.78 | 17339919.77 | |
| Tetraacetylethylenediamine | 2102047.69 | 1550687.93 | 1648854.76 | 2685494.51 | 4945949.59 | 2073683.32 | 3845209.09 | 4049624.15 | |
| Tetradecanedioic acid | 10122710.56 | 126881466.80 | 9846242.23 | 44258823.19 | 25203767.33 | 19833186.64 | 42066621.86 | 22089227.10 | |
| Tetrahydrocortisol | 3250255.97 | 9898377.89 | 3707470.47 | 12108437.40 | 15691805.24 | 7176731.30 | 11440102.08 | 13530164.00 | |
| Theophylline | 4827597.02 | 10690131.27 | 4646435.64 | 7692378.31 | 11071959.53 | 6765859.97 | 11427963.41 | 16041083.12 | |
| Thiomorpholine 3-carboxylate | 5382516.06 | 6291998.39 | 6712012.88 | 8079989.86 | 10968602.56 | 8162719.57 | 7137331.88 | 5378363.31 | |
| Threonic acid | 98180327.20 | 180131754.98 | 125509545.61 | 138614893.40 | 255173423.22 | 150771007.30 | 256563258.70 | 153462038.21 | |
| Thymidine | 18099183.06 | 13456761.23 | 15200188.19 | 23395915.87 | 17330854.85 | 18058428.71 | 31822598.32 | 19552742.70 | |
| Thymine | 9919101.76 | 7594836.19 | 9853117.80 | 11384125.56 | 13555851.25 | 7527945.67 | 13267657.86 | 12670216.47 | |
| Tiglylcarnitine | 2010822.65 | 3254952.49 | 1665621.45 | 3101662.59 | 3666288.20 | 2377217.63 | 3066865.41 | 2782170.04 | |
| Toloxatone | 67028877.16 | 28765643.33 | 13172454.53 | 23222642.93 | 38673833.57 | 26446716.39 | 42200900.42 | 97275187.48 | |
| Tranexamic Acid | 18947861.89 | 3927547.15 | 1936602.40 | 12204145.95 | 14230521.61 | 7094628.26 | 15994880.06 | 4374524.47 | |
| trans-2-Dodecenoylcarnitine | 2302732.75 | 9405006.02 | 1885053.70 | 12046196.83 | 5848286.51 | 5817027.63 | 4270273.25 | 4249580.08 | |
| trans-Hexadec-2-enoyl carnitine | 7873510.73 | 109421612.20 | 13786545.24 | 113011202.62 | 81870686.83 | 61334767.23 | 81652898.67 | 26704192.01 | |
| trans-Piceid | 477020.32 | 996706.95 | 1229644.96 | 410486.21 | 484280.63 | 557772.98 | 588323.36 | 1229073.56 | |
| Traumatic acid | 8955932.68 | 41121036.59 | 6542004.72 | 31360546.50 | 17769666.51 | 12689185.00 | 17805888.45 | 16662422.82 | |
| Traumatin | 8340675.99 | 9227305.38 | 7266399.82 | 6602821.29 | 5564710.16 | 7164689.03 | 7573809.50 | 9194712.56 | |
| Tridecanedioic acid | 6809595.24 | 12150759.13 | 7789376.79 | 8161949.35 | 6296542.04 | 7389088.77 | 8439076.42 | 8004389.12 | |
| Trifluoroacetic acid | 435207120.73 | 437188518.21 | 428658781.74 | 441371890.76 | 414843706.38 | 430810395.06 | 402901799.15 | 424982776.60 | |
| Trimethadione | 14820931.76 | 10384735.26 | 24887486.63 | 11537470.06 | 23212500.23 | 17341050.31 | 23015924.15 | 14605471.80 | |
| Troleandomycin | 10323244.10 | 7761134.57 | 7371930.67 | 11333699.13 | 6535594.39 | 7752133.75 | 10234950.28 | 7801215.89 | |
| Tylvalosin | 85477028.06 | 60922704.45 | 61634245.59 | 85344164.17 | 64282713.95 | 79944344.32 | 95823721.38 | 66800388.68 | |
| Uracil | 36299258.83 | 38851684.60 | 25781895.96 | 53364364.45 | 57102260.49 | 47629018.81 | 64632478.54 | 77433906.99 | |
| Uric acid | 516641359.82 | 652279609.42 | 319913735.67 | 800815330.78 | 1066165905.52 | 750483957.03 | 1355142090.71 | 1384696399.07 | |
| Valeroidine | 692782.87 | 401923.78 | 261200.80 | 924129.53 | 2002561.69 | 586889.70 | 1697834.56 | 665424.85 | |
| Valine | 826731684.23 | 879486694.56 | 690482784.75 | 503645966.12 | 778786007.98 | 517016803.28 | 692633373.67 | 753826619.17 | |
| Vanillin | 3332456.75 | 3413938.88 | 3179176.72 | 3115566.58 | 2438564.68 | 2999084.34 | 3697559.70 | 3892637.54 | |
| Vigabatrin | 523783013.14 | 730237052.83 | 431202561.32 | 310240317.47 | 541493068.27 | 323224942.89 | 395363231.11 | 604704995.28 | |
| Westiellamide | 22898489.14 | 21351423.13 | 22057504.09 | 22419330.12 | 16956729.96 | 18524156.54 | 24925598.42 | 27318494.34 | |
| Xanthine | 143693821.04 | 39518805.49 | 81313153.44 | 90382436.49 | 119474235.01 | 59917481.57 | 198689637.48 | 197051180.42 | |
| Zeranol | 39988385.80 | 30316367.95 | 29151677.86 | 41277754.57 | 28924196.18 | 33295752.45 | 40862878.41 | 31094598.89 |
Factors:
| F1 | Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death |
| F2 | Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death |
| F3 | Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death |
| F4 | Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning |
| F5 | Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning |
| F6 | Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning |
| F7 | Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning |
| F8 | Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death |