Data for ST002760   

(Analysis AN004483): Average values per metabolite and experimental factor (Units:Area)

Metabolite structureAll dataF1F2F3F4F5
10-HDA
1034468.24 1098124.82 1062894.09 1170080.52 531627.20
10-oxo-8-decenoic acid
9566400.61 8666139.93 12583448.77 3141308.14 6975574.94
1,1,6-Trimethyl-1,2-dihydronaphthalene
7916756.52 10443302.67 7519782.33 207191.74 2210623.23
11-Aminoundecanoic acid
2698436.34 647590.39 2137798.81 84093.00 983788.02
11-Nor-9-carboxy-thc
25021398.56 20673154.28 12899847.56 35000.80 16926310.41
1,2-Benzoquinone
1071195.51 3038793.73 8707320.96 136628.74 2934456.46
1,2-Cyclohexadione
9306834.12 11953512.19 8231394.72 8062864.90 7434038.74
1,3,7-Octanetriol
737897096.57 802401849.52 851691250.71 11681148.59 1225393368.00
1,3,7-Trimethyluric acid
6287798.02 8264168.16 6296824.13 61779.06 6564212.70
1-(3a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]in...
258502.79 6608403.22 2372648.45 82146.84 3604590.63
1,3-Dipropylxanthine
6344074.49 13731226.61 18880980.68 25728.71 10500932.79
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)...
268024.26 237301.87 2361660.93 80654.61 470888.26
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octa...
914032.61 745782.80 2361080.38 105251.68 976204.83
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acid
497555.07 345676.57 5648227.89 80486.04 1902118.13
1-(4-Amino-4-deoxy-beta-D-glucopyranuronosyl)-4-imino-1,4-di...
3208065855.87 4666397394.60 5164160934.00 2419553.72 3371743158.75
1-(4-Benzyl-1-piperazinyl)-2-[(3R,4S)-3-{[5-(cyclohexylmethy...
375017.92 369870.93 1866239.38 147105.32 402393.91
1-(4-Hydroxyphenyl)-1-decene-3,5-dione
412997.48 480300.61 5083677.37 103239.65 1208893.57
16alpha,19-Dihydroxy-4-androstene-3,17-dione
84581.31 70947.50 1230328.88 54237.13 222369.13
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1....
4630636.72 8238136.97 5102376.95 1276816.02 5276768.63
1,7-Dihydroxy-6,6-dimethyl-3,5,5a,6,7,8,9a,9b-octahydronapht...
786847.08 785707.63 3117394.43 502314.72 1054412.25
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine
1837694.18 5129703.70 3901201.75 131968.00 9678957.20
1-(beta-D-ribofuranosyl)thymine
79058547.35 87652491.52 313126046.57 106757.16 170699919.25
1-Deoxynojirimycin
1210602.29 1333866.35 4849853.21 257313.29 1465165.28
1-Hexadecanoylpyrrolidine
5299599.63 7660957.31 6398121.89 218423.63 1201271.02
1-Isopropenyl-3-isopropylbenzene
8442838.08 9947136.37 12187662.26 151085.80 6009886.77
1-Methylhistidine
133038897.55 187079376.07 199932175.97 2680955.65 165467790.97
1-Methylimidazole-4-acetaldehyde
26367330.43 26151811.39 22269702.78 1032024.87 19649150.36
1-Methylimidazoleacetic acid
12858711.39 13339526.44 32954335.10 1663101.37 15654315.88
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione
350547097.28 555964124.25 695387697.64 679622.12 415946411.23
1-Piperideine
6153357.96 9576837.75 13081217.31 3461744.62 9103344.27
(1R,9R)-N-(4-Fluorophenyl)-5-[(3-methoxypropanoyl)amino]-6-o...
1704993.13 2551477.72 4422467.97 38316.61 2110202.87
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanamin...
9646031.43 7770212.51 10140033.24 6400159.83 6644131.47
(1S)-1-Carboxy-N,N,N-trimethyl-2-(2-thioxo-2,3-dihydro-1H-im...
2819469.38 3501796.64 5032567.85 35263.54 2598492.86
(1S,2S)-1-(4-Methoxyphenyl)-1,2-propanediol
201210.07 479396.99 928719.11 152606.41 439569.84
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-...
6902399.21 16686015.43 1759778.64 60616.35 8414526.40
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2...
846554.37 329260.13 8115653.12 107234.07 1897037.79
(1Z)-N-[3-Hydroxy-2-(octanoyloxy)propyl]octanimidic acid
96990735.73 165166296.07 105064307.49 179039.57 100940523.95
20-Dihydro 6a-methylprednisone
1979427.96 2064476.45 5049933.90 26172.28 2178551.48
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic acid
2137508.61 2720537.10 6027045.89 1468364.02 1847893.57
2-(1H-indol-3-yl)acetic acid
1306237.11 832075.83 2272048.01 30975.19 947091.26
2,2,6,6-Tetramethyl-4-piperidinol
7354637.98 4964349.21 15305609.77 2542857.15 8191080.75
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid
5250228.04 7161664.56 5968316.81 41660.49 4640272.19
2,2^-Iminodipropan-1-ol
27955959.64 45004253.29 276526253.47 217984.61 88664936.01
2,3-Bis(octanoyloxy)propanimidic acid
6064105.32 7281364.69 7521981.45 106531.01 5475216.97
240I539PWQ
35484648.05 29150973.87 32958229.34 104558.29 35194270.46
2,4,6-Octatriyn-1-ol
179773866.91 160864560.76 282540852.67 425535.19 153009224.10
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose
1926340.05 1812262.12 17716284.85 50654.08 1639145.41
2^,4-Dihydroxychalcone
8620118.41 14007201.07 9138297.99 170236.36 11237807.13
2,4-Dimethyladipic acid
5871175.28 4141058.35 9622093.56 457677.39 4866383.97
2,5-Dimethyl-4-ethoxy-3(2H)-furanone
4014848.27 2718637.58 6280492.10 280586.59 3154353.61
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol
753226.81 605382.62 1123427.69 23455.73 87015.27
2-Acetamidooctanoic acid
4538073.14 3414564.29 4308975.83 48124.15 1164137.16
2-Acetyl-4-methylpyridine
179308638.87 148244659.27 260805760.28 275429.22 149094405.47
2-Amino-3-methoxybenzoic acid
17287000.86 16672917.81 17052495.17 186745.15 13225135.47
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-...
20462811.68 23989050.50 20761905.54 46364.84 23087148.20
2-Amino-9,10-epoxy-8-oxodecanoic acid
330047.98 493000.17 2401174.35 67867.17 522492.72
2-Aminonicotinic acid
94558755.76 87309738.59 134824741.68 409315.03 75314539.06
2-Decylfuran
4319165.75 3575950.08 4478092.81 1902104.80 3332985.43
2^-Deoxycytidine
378325573.05 420629775.34 380972355.60 390607.49 325539074.70
2-deoxy-D-gluconic acid
18985405.75 16258050.78 15856517.46 189582.50 19383475.06
2^-Deoxyinosine
2843182.67 2981972.33 3306062.91 27880.64 2420309.73
2-(Diethoxymethyl)furan
18114986.44 12412064.08 20494271.45 2781589.82 13478892.41
2-(Diethylamino)ethanol
17397303.00 23300474.78 53389198.33 44963.81 95439552.05
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde
5734042550.70 5582340320.60 7551598678.00 3747550.18 5317126389.50
(2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-...
114050.61 1268858.86 1888062.59 76627.46 813641.52
(2E,4E,7E)-2,4,7-Decatrienoic acid
411245.69 408579.85 1615133.73 608579.74 434838.67
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide
93399.17 88779.36 2558280.90 38537.60 538662.24
(2E,6Z)-Nona-2,6-dienal
6852448.86 7797134.69 9633433.08 1193082.91 6649588.11
2-Furoic acid
1108685.41 8230501.30 718604.58 421869.16 2515243.26
2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spi...
1170583.60 469115.81 1567312.82 125894.31 604580.33
2-hydroxyhepta-2,4-dienedioic acid
2217103.72 2590690.61 2744500.85 40203.68 2256003.08
2-Hydroxyhippuric acid
3757375.06 4291918.42 14691156.26 109192.19 5705089.29
2-Hydroxy-N-(2-hydroxyethyl)propionamide
4676470.57 6267187.97 5055155.29 164013.00 9093947.98
2-hydroxysebacic acid
1741466.50 910085.72 8890185.90 283072.39 2441570.84
2-Isobutyl-3-methylpyrazine
144835.09 157775.02 1423946.13 37974.72 291503.89
2-Methyl-3-thioacetoxy-4,5-dihydrofuran
156588425.57 921919822.39 205833008.36 292862.73 356681147.25
2-Methylthiazolidine
50923502.56 38258551.27 51157012.14 81666.33 36663190.29
2-Naphthol
20190853.86 23763767.01 26553052.19 117236.57 63320529.56
2-Oxindole
4292252.82 2379381.24 9564856.94 79133.56 4179039.21
2-Pentyl-1,3-thiazolidine
851405.96 1117356.33 4579165.70 29367.95 1220890.58
2-Phenylethyl D-glucopyranoside
7793323.63 13882437.30 8641150.86 2143250.58 8830396.09
2-Phenylindole
33516854.56 17278954.59 22948120.13 2878978.53 5030286.20
2-Quinolinecarboxylic acid
50555971.08 112591109.52 81787390.12 173173.74 65990306.82
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypr...
29319300.83 59370362.86 19094723.45 16400031.92 35322266.61
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phosphate
4468291.91 5524143.49 7621266.07 33248.65 4618709.54
(2S)-2-Amino-4-hexynoic acid
9469310.09 7459884.64 9280122.95 3182491.93 7835391.92
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxyme...
5742690.54 8762033.26 13832870.03 165573.49 9117661.88
(2S)-4-Acetamido-2-aminobutanoic acid
16212770.69 46414750.54 37372285.89 1581300.83 75329755.64
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
4646662.67 20151907.26 7166427.49 169584.03 8595460.95
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6,7,8-hexah...
871540.20 738098.85 8151262.65 126237.71 2057178.18
(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(di...
5061715.56 95499.40 72297.55 35080.82 1320746.40
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid
8059495.17 48169635.79 10219888.05 89338.91 18384210.23
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne
47370021.19 61753392.97 51876593.33 64937.42 43187995.20
(2Z)-2-Nonenoic acid
13405173.97 4824605.76 13390247.18 7170688.19 5348867.41
(2Z,4E)-2,4-Hexadienedial
2157847.15 1851433.33 3675631.94 699446.19 1646849.85
(2Z,4Z,6Z)-2,4,6-Nonatrienal
954089.12 861708.70 3206737.22 916336.44 544603.13
3,14-dihydro-15-keto-tetranor Prostaglandin E2
199137.32 157623.42 1841733.87 66750.40 395873.07
3-[(1S)-4-Oxo-2-cyclohexen-1-yl]-L-alanine
6603778.15 7855807.35 10144884.57 107565.11 6582493.40
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine
2970312.84 5214481.70 3837659.42 253006.12 3433420.54
3-[2-(3-Hydroxyphenyl)ethyl]-2,5-dimethoxyphenol
340611.43 542100.12 3897680.23 41677.32 1056111.32
3-[3,4-Dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]propanamid...
32377093.68 45635803.65 60866975.59 511111.26 42612040.08
3-(3,4-dihydroxyphenyl)propanoic acid
1974381247.60 1833280575.90 3109857666.40 306757.60 1713007072.00
3-(3,5-Dimethoxyphenyl)propanoic acid
510204.01 430878.74 4101846.08 703158.59 773904.96
3-(3-methylthio)propylmalic acid
1601051.40 1898572.70 2026915.54 505953.39 2903872.46
3,4-dehydrothiomorpholine-3-carboxylic acid
66645311.13 95127124.58 68233548.07 364437.71 30249044.09
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methylpentanoyl...
2402910.27 195376.65 2315238.62 142419.46 989624.15
3,4-Dimethylbenzoic acid
7676436.32 8017881.29 6655134.99 732857.48 5207355.35
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-...
80945.07 100588.04 7991981.38 42138.72 1616644.40
3,4-Methylenedioxyamphetamine
7635498.53 11996753.52 12601129.67 3635045.30 16805672.98
3,4-Methylenesebacic acid
905843.21 953082.34 2643706.81 924381.68 713358.18
3,5-di-tert-Butyl-4-hydroxybenzoic acid
5058454.98 6008557.31 5737032.70 1326146.09 4963385.67
3-Amino-2-naphthoic acid
343537.42 459362.17 1971275.87 46886.68 442306.02
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol
433597136.91 634855532.05 671994112.94 1064152.48 447278105.30
3-Amino-4,7-dihydroxy-8-methylcoumarin
794307.65 424584.04 1526550.72 25117.25 670133.92
(3aS,4R,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-carb...
33317543.42 83225864.11 97963695.95 49778.61 50156884.90
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one
5033318.68 9199288.37 32437649.34 114246.10 10856887.89
(3E)-2,5-Dioxo-3-hexenal
2652130.43 5420711.68 16521726.34 2187268.59 5701783.58
3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
5135028.98 15756627.52 8428024.58 64944.87 8765959.70
3-Hydroxy-2-oxobutanoic acid
100774766.58 144644117.05 155619930.24 2490383.45 122274769.28
3-Hydroxy-3-methyl-2,3-dihydro[1,3]thiazolo[3,2-a]indole-9-c...
4922164.35 6868173.14 18146753.27 49558.64 7240685.26
3-Hydroxyanthranilic acid
11614270.19 63343280.28 29519579.23 487480.93 34963085.68
3-Indoleacetamide
19241717.50 18784604.73 20781122.16 198094.78 17571861.74
3-Indoleacetonitrile
6712653.24 7469903.58 8133665.72 61221.31 6419501.00
3-Isopropenylpentanedioic acid
427464.34 464857.10 1653254.30 184553.12 474132.23
3-Mercaptohexanol
4375531.18 6234572.27 7150380.84 54469.57 3855834.20
3-Methoxy-4-hydroxyphenylglycol glucuronide
17342603.91 31374936.31 12342852.75 22839.22 18514636.44
3-Methylcrotonylglycine
2630113.63 3830352.53 7771500.53 392986.81 3565937.65
3-Methylcytosine
28454560.30 27753324.72 35894391.30 969765.03 23609690.03
3-Methylhistidine
51014199.18 72036772.94 68514644.15 250374.70 67633445.25
3-(Methylthio)hexyl hexanoate
6821829.39 8160390.64 6120671.54 25689.09 5392076.99
3-oxo-C12-HSL
1926167.71 2157538.69 2169449.51 84004.08 1148635.17
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione
1126811.70 1314279.67 6962074.02 35479.71 2013284.31
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-1-yl)oxy]b...
295608.18 815383.93 239282.30 42391.77 415012.91
3-Thiomorpholinecarboxylic acid
150047594.70 238333559.66 166145438.05 144658.12 65552602.66
3-Tropanol
1797129.02 2306418.37 4655530.23 155026.74 2850017.75
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien-3-imine
46697303.65 19535268.56 16473931.79 131960.64 15816143.05
4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]meth...
3257915.15 3248746.98 4742903.61 40927.22 2878462.50
4-[(3-Acetamidopropyl)amino]butanoic acid
34038561.29 16254853.66 23304241.79 133133.55 8649589.61
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)-3-methylb...
1966407.00 236653.49 1297492.87 63707.92 554300.42
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane
925206.21 824022.89 612815.33 40249.64 3768920.91
(4aS,5R,6S,8aS)-5-[(3E)-5-methoxy-3-methyl-5-oxopent-3-en-1-...
2655319.04 3199938.20 570264.54 38950.95 1497615.84
(4E,6E)-4,6-Tetradecadiene-8,10,12-triyn-1-yl acetate
181429.35 6427750.41 222666.71 101904.92 2279782.25
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one
4881417.87 4748808.53 4481107.13 3495853.95 5714033.77
4-Guanidinobutyric acid
23504014.61 26179458.21 95716537.59 174951.38 30726392.49
4-hydroperoxy 2-Nonenal
13744369.28 5978519.51 47373506.48 2736902.38 14488719.48
4-Hydroxy-5-methylfuran-3(2H)-one
2555819.46 5483332.00 15402129.91 1510562.09 6247651.61
4-(Hydroxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7...
211666.60 275236.57 1465869.05 31526.71 305129.61
4-Hydroxyprolylleucine
13567046.38 8991863.83 14494486.11 129182.83 9986259.52
4-Hydroxyprolylproline
25377440.37 42423873.44 87729344.62 149062.54 32961350.95
4-O-(a-D-Glucopyranosyl) moranoline
923443.80 875300.22 1630094.25 25181.02 787277.94
4-Oxocyclohexanecarboxylic acid
3694358.95 3872113.63 6727618.78 4902318.44 3976457.81
4^-Phosphopantetheine
386715.32 235268.63 2212923.37 20696.26 400275.00
(4R)-5-Hydroxy-L-leucine
339857050.93 559640666.10 687675229.51 941869.29 516505467.00
4-Vinylcyclohexene
4944493.59 2320894.53 18951453.75 973946.19 4886079.41
(4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalen...
85658.26 403259.74 2602153.32 23120.37 637847.68
5-{4-[2-(Methylamino)ethoxy]benzyl}-1,3-thiazolidine-2,4-dio...
2503766.88 3327698.10 3710510.46 28077.73 2892228.84
5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinol...
48895837.16 53179657.48 56449319.01 16001298.81 178299437.55
5,6-Dihydrothymidine
12563365.84 10074188.52 11524603.74 126475.74 7853614.07
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one
27932317.29 27487228.43 31202539.27 265970.13 4085270.85
5-Acetyl-2,4-dimethylthiazole
251756.76 2227703.90 278107.80 43346.62 1018770.54
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid
8125343.15 4926976.35 9943304.43 137117.62 4179899.92
5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE
77481399.95 61304389.34 89943481.29 167492.92 90613338.47
5-Butyloxazole
22922011.32 22371440.67 56593652.84 869229.68 26788819.45
(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid
1084284.28 1487260.18 3167512.15 258475.09 1185181.99
5-Ethyl-4-hydroxy-3(2H)-furanone
5812160.42 10122819.23 14915541.11 317798.17 11624540.82
5-Heptyl-2-oxotetrahydro-3-furancarboxylic acid
14804884.26 18906741.69 16832841.28 406031.32 4282998.94
5-Hydantoinpropionic acid
19328845.56 21694277.13 10233297.28 242030.04 12735021.34
5-Hydroxy-DL-tryptophan
26819728.07 28435329.83 30771348.39 78734.74 25909293.97
5-Hydroxyindole-3-acetic acid
2792590.19 2795367.86 6519167.91 31299.95 2140205.47
5-Methyl-2-octyl-3(2H)-furanone
357747924.64 255079192.39 182605794.49 50897871.51 149123528.45
5-Methylcytosine
27665038.37 32750129.07 44003740.47 1046560.13 26969048.05
5-methyldeoxycytidine
17489672.86 17456218.63 23101935.30 133100.17 14802729.63
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid
9766917.41 11114814.63 11031152.72 117097.98 8505906.16
5-Oxonorleucine
15552007.23 21303630.52 29606401.69 2787187.05 17748410.48
(5R)-2-(3,4-Dihydroxyphenyl)-N-{3-[(3-{(Z)-[(2,3-dihydroxyph...
2520051.75 5213851.78 5061556.53 36038.59 3804715.75
(5S)-5-(D-Galactopyranosyloxy)-L-lysine
37073991.39 55121988.88 80090539.90 94186.39 52065227.71
6,15-diketo-13,14-dihydro Prostaglandin F1a
2229151.76 1292658.34 1659040.17 65714.13 978064.15
6-(1H-Pyrrol-1-yl)norleucine
2014493.64 4466014.77 4892755.89 26018.02 2785493.24
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione
47765483.37 57039222.88 68229814.48 75360.81 44474476.97
6-APA
1018115.97 6332515.26 728980.96 24141.66 2532443.38
6-hydroxy-4a-(hydroxymethyl)-5-methyl-3-(prop-1-en-2-yl)-2,3...
3207738.37 745169.79 3103147.24 407165.51 1343587.42
6-Ketoprostaglandin F1a
24484559.43 13317915.30 20173126.30 42461.59 14250989.59
6-Methylnicotinamide
77625287.24 25832886.32 252033731.62 1010763.11 79141756.39
6-Methylquinoline
22789003.99 24167524.57 29469700.31 30503.58 19481359.04
6-Oxo-pipecolinic acid
25032914.46 38845463.53 49721282.41 1904331.66 35549900.22
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol
3782564.87 601872.63 4202924.83 126735.74 1703870.14
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-o...
1830903.46 3694899.55 23200303.63 84957.25 6604331.86
7-Mercaptoheptanoylthreonine
488652.37 678957.38 2313996.35 31041.80 687914.45
7-Methylguanine
66958942.13 52171088.91 108386781.91 320213.64 55340461.65
7-Octene-3,5-diyn-1-ol
24619797.17 26999346.53 25182753.32 7033886.38 41650318.98
8-Amino-7-oxononanoic acid
4576438.27 6702644.84 15850075.44 351184.69 6829312.93
8-Azabicyclo[3.2.1]octane-1,2,7-triol
686767.55 2762774.76 1187004.38 386500.05 1356249.09
8-Hydroxy-2-quinolinyl beta-D-glucopyranosiduronic acid
852050.58 264684.72 2216891.40 22041.41 723800.69
8-Hydroxy-5,6-octadienoic acid
2515874.55 2852994.24 12656370.26 631092.71 4074433.20
8-(Methylsulfinyl)octyl isothiocyanate
5685064.75 7097905.56 8619511.61 47893.60 5909423.48
9-Anthroic acid
699992554.88 917668554.51 767175289.61 238277.87 638476747.58
9-(beta-D-Arabinofuranosyl)-2-imino-3,7,8,9-tetrahydro-2H-pu...
2748472594.80 5965302335.30 7211259069.90 5271875.69 5021436759.00
a-Aspartylphenylalanine
5393940.68 9857843.35 9525111.29 201015.71 6409809.79
Acetanilide
10780759.64 12810024.61 24190263.84 460980.66 11280285.03
Acetophenone
2713144.69 4771887.77 3021778.44 706172.04 3132847.74
Acetylarginine
41787510.69 56920435.17 115646225.18 132650.89 56145477.87
Acetylhistamine
13647379.34 27126688.12 40188768.82 213055.63 21317299.28
ACETYL PROLINE
4256354.23 8960476.28 14854384.22 1400412.27 10122273.65
Adenine
250951173.83 553024261.22 660967476.91 247193.81 464672084.80
Adenosine
2750783249.10 5968674802.50 7213622663.30 5304780.68 5024333737.50
Adenosine 3^5^-cyclic monophosphate
41031037.98 82477880.91 64170692.12 65966.55 51736927.04
Adenosine 5^-monophosphate
80470741.23 93936358.04 79581032.35 120971.04 72822062.72
Adenosine diphosphate (ADP)
33076112.69 31492215.31 35806674.82 316974.99 36100585.84
Adenylsuccinic acid
19038667.33 9411337.87 24736589.53 57201.99 11941572.82
ala-met
14557472.52 21826404.58 9673126.95 63306.88 10136392.17
ALA-PRO
14512513.72 8223998.23 8319169.00 264595.47 6655698.92
Ala-Tyr
14952675.41 12860324.54 10697421.83 30220.65 10538243.97
Alitame anhydrous
2761022.76 271616.72 848451.02 38973.71 642967.61
Alovudine
14514616.78 28052685.75 35500986.87 98358.09 23777071.48
.alpha.-Apocholic acid
492210.99 1383625.71 2287051.97 37770.20 1087604.59
Andrographolide
214914.83 186091.97 1680171.03 49108.27 292616.97
anthramycin
1320250.40 1160496.38 1884952.12 22170.19 852416.84
Anthranilic acid
11582637.79 9124515.48 17886639.17 294406.12 10742055.23
APM
3115904.95 3479903.87 11190934.90 628222.45 6650536.42
apronalide
98883.65 141092.95 889931.07 28477.12 210430.33
Arg-Arg
443338.89 447427.98 1525361.73 21268.04 645782.52
ascopyrone M
6407579215.90 9352345153.20 8665032640.00 5134186.25 5950176560.50
asn-leu
4672739.45 6136096.90 6585372.57 79722.27 3559024.06
asn-phe
3244541.34 3939595.11 4447951.79 40740.63 2954292.63
asp-leu
22606955.05 28393113.32 40667694.47 269485.54 23357789.91
Azelaic acid
25749598.16 16280227.51 28014603.47 2906172.74 17717615.59
b-Angelica lactone
9704269.56 7806031.36 16945298.70 1931585.57 9519435.48
Basic Violet 1
1441266.67 2811048.55 2284810.14 215656.11 1087204.77
Benzaldehyde
11744103.68 12111972.06 16064224.87 116716.26 11494474.53
Benzil
13019978.96 18284361.52 13536543.91 122150.13 13002801.41
Benzoxazolone
92549853.55 452979112.27 220083812.12 511911.04 233339062.50
Benzyl butyl phthalate
5680731.11 4865038.56 13028781.95 70660.83 6159263.34
Bethanidine
1418689.55 1828626.97 3698347.42 27991.59 1239131.91
Bialaphos
1045998.84 3316777.90 9995538.20 41831.52 6637360.42
Bis(4-ethylbenzylidene)sorbitol
4844654.27 9055580.77 8248875.01 3746189.06 5656419.63
Bis(methylbenzylidene)sorbitol
79854198.87 139386353.62 90402854.49 22176238.88 92408115.02
Boc-Asn-Oh
28656291.75 53876484.74 115498054.75 326861.24 51907518.05
Boc-Asn-ONp
2607219.89 5473673.44 8292847.22 51582.97 3732838.32
Bolandione
76259.12 67907.27 1547839.17 33253.20 359922.88
Butabarbital
672859.88 1191468.18 1598501.78 69732.90 747251.39
Butyl isothiocyanate
1671676.47 8344550.95 1827197.71 231510.36 3479283.96
Butylparaben
1599589.85 713571.85 7090969.76 447825.61 1728131.57
C8-HSL
1046775.07 1162273.23 3785851.36 344515.45 1348448.88
Caffeine
5392014844.50 6776042580.90 5517008757.70 4410243.35 5073896010.25
cambendazole
21227577.08 23521926.04 24607941.81 230366.99 17448158.84
Capryloylglycine
4979852.36 3651152.85 5266939.15 1641514.51 3580661.38
Carboprost Methyl
613540.10 6396278.04 16575716.30 228818.53 7119286.10
Carvone
12909985.84 14576485.98 14869464.61 5831837.95 14732770.03
Cefuroxime pivoxetil
41131629.97 41010392.66 26647994.41 37886.20 33000946.09
Cervonoyl ethanolamide
433794.43 6150455.85 27766072.62 126422.84 8450982.47
cipamfylline
993603.00 4401332.67 3437073.50 47586.09 1769325.90
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic a...
1673644.27 1555354.40 6890745.71 1610849.16 1752737.01
cis-acetylacrylic acid
3358747.98 4545657.86 7306541.18 2432818.60 4162231.57
Clavamycin E
35817282.74 51268113.06 59568969.09 38282.05 38095810.15
clomazone
10955573.86 1863016.52 109156.50 24602.20 3537951.98
Codonopsine
1606595.09 2395801.99 891682.65 31270.83 1436247.14
Coproporphyrin III
30415454.99 69730613.89 51480780.71 129977.99 34766682.68
Corticosterone
36162595.77 34094395.32 17543022.31 40926.94 25943291.09
Creatine
98422890.88 145897597.16 127104755.26 1253601.87 136562044.49
Creatinine
862046019.02 682217435.22 1647054335.27 2523259.89 804656416.77
Cromakalim
297510.75 314560.29 1610247.47 75651.09 291262.06
Crotamiton
9403182.91 10107738.62 12961707.63 575780.30 2672603.41
Crotanecine
2134505.97 1896656.55 6528876.61 207767.04 2286796.80
Crotonic acid
21620916.25 23419178.71 43387020.86 986734.66 18472122.27
CU8460000
7906384.52 8090747.76 8567315.02 224888.83 7203531.58
cuscohygrine
1492839.17 1675014.92 2542248.69 290030.69 1104569.39
CY9070000
447881.14 361168.04 2661327.47 371301.74 745964.67
Cyclic ADP-ribose
11641120.60 8939064.20 10524975.47 67323.39 8490696.55
Cyclohexanecarboxylic acid
3332835.02 3780492.59 19859288.70 662331.94 5842937.27
Cyclohexylamine
103782701.21 115387394.65 428830405.24 137303.61 183168912.75
Cyclopamine
106564017.80 82533613.88 10280340.94 70474.94 48622232.22
Cyclo(phenylalanyl-prolyl)
1990586.38 2424544.05 7429172.08 63260.31 2736045.35
CYCLO(-SER-TYR)
10681875.72 6870620.57 18102785.73 215335.69 8042713.60
Cyprodenate
364939792.41 266497292.60 187628437.54 53550116.44 155243993.45
Cys-pro
213239300.71 1160061888.61 225445246.50 199771.82 498068145.02
Cystathionine ketimine
29102674.32 28822674.61 27058029.65 274653.51 18489635.05
Cysteinylglycine
5800885.05 13224480.36 7701660.78 105556.05 4479461.42
cystine
41337810.95 88010659.66 52493808.88 92659.77 58794542.03
Cytidine
542771846.57 614134338.56 793881132.26 1057293.07 444073401.48
Cytosine
880719931.43 990042532.20 909806972.45 1331734.53 737529117.65
dacisteine
24879411.18 14631114.06 29000992.90 54201.67 12821278.32
Decanamide
6702251.84 8837054.33 8188674.94 1818958.54 4166299.55
Desthiobiotin
878587.20 1793916.62 2077439.51 39699.43 1353124.11
D-Glucose 6-phosphate
6652553.98 8047011.12 9015037.21 174950.63 7606909.28
Diaminopimelic acid
382989.08 1364513.70 14478561.97 43158.29 3172502.64
Dicyclohexylamine
4233772.26 5103952.15 1259275.41 149954.95 2734721.74
Dicyclomine
806520.76 771713.19 3005765.12 85736.45 1112231.03
Diethanolamine
584052211.04 949729126.80 857904326.39 4235771.80 786596058.73
Dihydrothymine
137054883.25 151410251.82 174738620.82 1682980.72 133498659.58
Dihydroxycarbazepine
782008.77 5269077.14 1444980.26 35370.39 2986591.63
Dimetridazole
4116567.76 5059468.06 6668845.75 878389.67 4221383.78
DL-2-(acetylamino)-3-phenylpropanoic acid
1657689.46 1356804.53 2991379.57 45970.63 1494128.62
DL-a-Aminocaprylic acid
6467933.24 2942184.62 5156610.08 44231.37 3802798.28
DL-Ala-DL-Phe
8962355.76 13711127.20 10942837.95 195299.41 8777803.26
DL-Alanine
7693749.31 7894298.62 15698136.39 16231750.42 6837563.60
DL-Cerulenin
130235.16 409139.58 1315191.01 36936.94 418643.40
DL-Glutamic acid
1919824996.70 1714534287.80 1801092727.38 3616989.12 1975985775.00
DL-Glutamine
96340174.42 75497636.49 97062962.44 18490905.48 117956542.75
DL-Homocysteine
1187536.08 1355523.60 3050921.70 164004.86 1935715.58
DL-Homoserine
23002124.61 20172424.08 22870760.88 1701267.29 25106417.19
DL-Lysine
658921027.00 1070797999.92 964131189.78 5152201.70 922041728.08
DL-Ornithine
11417283.79 10476025.78 13533893.66 106542.77 10938491.01
DL-Serine
300401273.27 265333404.05 424648023.40 2107029.17 337000932.15
DL-Tryptophan
3152123292.70 3357408892.20 3928720867.10 1098268.31 2774742317.75
D-lysopine
1783396.71 2107471.51 1290987.69 90125.84 1403061.07
Docosahexaenoic acid ethyl ester
347387.18 1003761.66 2978325.77 120553.77 696010.51
D-Panthenol
1696242.78 589123.35 1395856.57 96564.81 633887.64
D-PANTOTHENIC ACID
1256347541.76 1489327076.35 1940936522.19 909666.91 1242459109.25
D-(+)-Pipecolinic acid
3608557030.10 3520635515.50 2325428188.10 11173305.02 3751221146.00
D-(+)-Proline
1042583466.52 768073806.33 760512375.78 2234649.83 672937530.23
D-(+)-Pyroglutamic Acid
325828558.87 371012399.66 351337713.62 6273552.55 186110427.65
D-Serine
105092078.84 91041128.32 121342621.19 9628743.90 109086144.62
(E,E)-2,4-Dodecadienal
12787147.84 7393977.02 6212711.88 288042.46 5659416.87
Elaeokanine C
29743362.12 9977252.18 25721821.15 11765332.53 13773143.36
ELK
142957779.60 225241747.25 176862456.70 536672.74 142143119.45
ent-prostaglandin E2
1995252.59 1488885.45 3767664.00 32176.00 1776257.31
epi-jasmonic acid
13027365.27 11139567.88 12290293.90 10224582.18 15112555.01
epsilon-Caprolactone
4415057.39 5543870.58 2583938.05 3691352.03 5037348.18
Eslicarbazepine acetate
123825.18 187460.47 1094362.62 19040.23 210546.56
Ethyl caproate
3256893.13 3265067.79 3680883.03 1676152.95 4635358.85
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate
1097601.47 1050925.78 3613893.71 48779.51 1379317.92
Ethyl N-ethylanthranilate
4347419.97 4777597.93 5376078.79 251470.97 1001948.11
FAD
7793018.42 7507794.16 9760308.04 62039.16 6005663.22
Fenfuram
520371.33 980781.68 1052006.10 126206.14 342706.38
Flavin mononucleotide (FMN)
4564696.08 2829762.87 9210632.99 44558.71 4223257.18
flucindole
213574.68 403488.33 3693097.21 51894.67 761455.52
fMet
982703.23 736114.91 2457311.28 53464.20 777345.63
Formylkynurenine
14021763.13 14783418.60 15305051.35 58319.34 13383190.93
fosfocreatinine
17994902.24 20073136.88 30035555.50 1224946.50 19912777.06
fructoselysine 6-phosphate
2737612.13 3380933.56 5310347.21 50066.34 3597958.92
gamma-Aminobutyric acid
100009158.76 128847323.97 106542703.64 9935376.34 112614468.09
gamma-L-glutamyl-L-tyrosine
2195500.61 2157872.35 2016977.26 40136.80 1614709.74
gln-phe
3099216.97 3157112.47 3197802.51 63032.48 2356328.07
glu-leu
16393985.04 18309608.08 29373723.00 45891.32 15503710.19
Glutaric acid
3550899.76 7470036.29 18493412.22 1828105.98 6979164.73
glu-tyr
6859163.67 6610264.81 14381402.08 36301.24 8067610.17
Glycylglutamic acid
11726574.02 17315273.49 33479766.07 860810.67 21554422.85
Glycyl-L-leucine
15647980.23 25878950.93 17759418.79 260157.36 15608642.87
Gly-l-pro
26140937.96 23495703.80 39149375.06 508661.08 24286419.56
Gly-Phe
7384198.07 6728460.11 10462967.35 443859.36 6180772.23
Golotimod
4814089.66 6253296.42 9524387.36 26376.91 5223123.56
Guanine
19958567.76 25795531.24 44732259.52 747711.52 18675669.53
Guanosine
394393961.25 641950283.27 654803039.50 474994.50 447790236.60
Guvacoline
2804248.39 4614254.33 7937356.06 323015.23 3504458.71
Harmalane
7277285.26 9255171.08 9654544.72 127184.63 27039205.70
Hexadecanamide
3395589.23 1407679.16 5652802.75 381678.09 2185429.33
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid
646762.64 1103762.81 2235231.98 22602.55 947057.28
Hexanal
5917119.46 6052081.60 6670641.48 2914370.07 8860312.23
Hexylbenzene
9702156.36 5242480.10 6844364.55 222780.04 3082224.11
HIAA
48656492.19 203615022.30 260462203.05 462022.18 97519644.61
Hippuric acid
1011378728.21 809734018.92 310616333.56 388328.39 637854358.35
His-pro
11906458.73 12230131.93 17519498.51 1348777.54 11557097.70
Histamine
6483498.97 7785522.37 30006806.26 248565.94 11115354.63
Homocitrulline
44712637.69 39310503.94 50183714.68 569619.75 46444267.90
Homo-L-arginine
52791846.85 49571732.40 60590270.69 1186338.33 40995330.63
homomethionine
2712648.17 4154197.64 4087939.10 132489.61 6513527.63
Hopantenic acid
2095598.93 3878686.18 15919325.75 92452.79 5914939.00
Hydroxytyrosol
2542872.36 2782831.42 10701892.13 4232292.70 3003375.60
Hypoxanthine
5952705248.20 6437434233.60 7588718279.50 5809147.06 5429440772.50
Idoxifene
1844894.77 1003887.52 1781020.25 37005.90 996328.14
IN00458
2770689.59 4269944.33 2195926.57 47876.08 2226698.85
Indirubin
335534.98 1977845.64 7812087.87 75013.88 1288224.35
Indole-3-acetaldehyde
17669975.94 19344204.52 20563027.28 29351.82 16722490.05
Indole-3-acetic acid
60893023.49 72307405.94 72898374.93 259457.61 144415779.47
Indole-3-lactic acid
1371224.97 1112177.66 1898089.82 149582.05 1022887.52
INOCOTERONE ACETATE
101441.00 95833.13 850682.05 75912.39 130288.72
Inosine
4245157360.60 4986761827.90 5560434928.00 2757531.38 3572857951.25
Inosine-5^-monophosphate (IMP)
257184440.19 141946025.96 136943111.39 598676.75 131461677.88
IPH
361958.18 497794.08 60883792.63 78671.69 10350481.21
Iprofenin
252299.89 218706.14 7560485.46 143722.98 1200893.44
Isoputreanine
11584766.45 8472015.92 13746355.73 264099.08 8281158.07
Isovalerylglutamic acid
5720295.67 5775843.93 9397769.34 50298.67 5379668.10
ISOXYL
357203309.32 570004037.46 1695790410.30 1177459.22 605723528.83
jasminine
7880943.24 15040469.32 13932921.05 93216.14 8413440.40
Kanosamine
6540157940.70 9606590143.90 8870074320.40 6208807.69 6088784875.00
Ketamine
28760716.58 9959774.37 592381.61 28381.89 12758790.70
Ketoprofen
1121908.57 655145.82 707429.62 66994.19 617933.25
Lactamide
48802148.50 40371225.07 52702193.33 1408618.36 51979073.05
L-(+)-Arginine
57171707.01 59859695.56 70965139.06 1958517.56 60202800.39
L-(+)-Aspartic acid
129732249.63 83991228.90 89218367.53 3457439.65 108562248.47
L-Aspartic acid
102129877.25 101954799.77 80907447.37 1683107.58 99895935.77
Lauramide
36729380.21 23459857.25 26704142.38 6833072.73 21725195.87
L-coprine
195327.35 376478.42 2746037.92 33651.89 760562.88
L-(+)-Cysteine
6742039.01 7647277.39 9119753.27 35018.36 6159341.89
L-Cysteinylglycine disulfide
17617732.45 42145394.75 21001445.66 185068.60 32365360.83
L-Cystine
13877279.23 23986344.92 15422404.72 212498.40 14616680.26
L-decyline
1526587.28 1756727.05 799394.05 50071.01 919236.87
L-Dopa
11995277.12 11286314.05 16851183.69 67649.98 10544298.39
lentiginosine
3777096.19 2600864.40 19556673.91 206882.94 5480093.48
Leucylasparagine
5070752.43 8092292.63 19688594.50 46834.79 8205168.11
Leucylproline
45944198.59 30631895.71 43310967.26 104786.03 30412061.07
Leucyltyrosine
2489393.66 4260239.09 2776092.02 33778.17 2622066.41
leu-cys
1970654.68 3506067.08 1050000.63 157841.80 1678358.16
Leu-Gly-Pro
474115.47 679675.93 1767218.17 47226.61 830935.45
Leu-Leu
9702324.75 16701336.80 11899920.47 31486.45 10166915.38
leu-phe
15015997.15 30540904.52 25660780.23 200900.45 17361162.14
Leu-pro
32937961.82 30356123.09 53231751.18 54298.42 29948933.24
Leu-Val
27111649.94 50771231.63 31334202.98 96139.21 30149642.41
Levetiracetam
783428.62 2684315.84 2505056.09 80901.83 1450655.56
L-gamma-Glutamyl-L-leucine
3800019.39 6436909.22 17028823.39 51484.61 5873962.32
L-gamma-Glutamyl-L-methionine
11587126.16 17295504.00 19060463.28 80844.67 13886030.43
L-Glutamic acid
72951631.04 97884745.40 89853367.35 1437637.44 82232576.46
?-L-Glutamyl-L-glutamic acid
18615353.86 20658283.29 23263460.92 237302.74 24291582.08
L-Glutathione oxidized
578288493.01 74739886.84 489593492.87 1702171.45 227584423.72
L-Histidine
109329888.82 121795124.53 154258866.49 815178.53 125546561.22
L-Hydroxyproline
35311876.78 43387688.63 75615779.35 2131803.59 47070594.58
L-Isoleucine
503271513.74 1809103370.43 2545956007.88 4999508.00 933773646.50
L-Kynurenine
31596347.23 66766143.48 208126890.57 148276.28 79491713.06
LLK
1105542.92 1872195.74 2278399.20 51031.64 1389078.23
L-(-)-Methionine
2346242515.40 1760413334.52 2264360664.40 394904.85 1511051304.00
LNK
100990361.51 195364424.67 201377351.97 284222.54 217005721.80
Lotaustralin
15147407.51 36182301.99 20710256.75 90236.91 19898943.43
L-Phenylalanine
5757754538.50 5607306655.80 7579765616.70 4107931.16 5332120146.00
L(-)-Pipecolinic acid
1057901360.15 1017535724.67 845880655.96 13105612.18 775348491.27
L-pyrrolysine
1640831.93 3145378.05 1788902.02 92614.51 2163569.99
LQ1825000
53557154.75 54976892.14 60694829.06 222245.20 49317669.27
L-Theanine
8641635.40 20283123.18 15057777.55 329074.50 8982815.05
L-(-)-Threonine
244725255.04 278266557.51 318893294.32 3710513.00 286720317.93
L-Tyrosine
1486431522.76 1274628497.72 1799744858.15 2834637.70 1096648056.80
L-Tyrosine methyl ester
3886951.43 9430308.38 7016486.40 24308.14 5233366.38
Luciduline
4482036.10 1725873.30 3249563.33 84366.56 1526251.15
LV1850000
322762.05 301295.99 1351085.06 330866.57 348584.30
(-)-Lycodine
8207739.10 4374191.69 7919697.55 1209156.68 5156781.07
Maleamic acid
13669333.05 10351796.29 13030698.13 2389779.75 13501818.16
Marimastat
1446875.11 3880132.41 3059153.35 23062.14 1861583.19
mebutamate
6527725.75 7426197.87 5790709.37 43101.03 4941991.71
mephenesin
1333675.17 1333962.57 4556139.12 1958964.85 1334940.66
meprobamate
7938083.94 8662204.39 10489274.77 65762.14 6598115.51
Metalaxyl
2692565.70 2170417.72 1991350.10 68618.73 1805331.38
metharbital
592518.49 743262.15 4728456.23 82964.51 1262741.63
Methionyl-4-hydroxyproline
8038318.62 15473283.52 16369842.15 127174.95 13191878.91
Methotrexate
1428186.58 2552455.46 3370621.13 31562.00 2352289.37
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-...
675098.39 772418.06 9010235.84 106694.26 1712091.79
Methyl alpha-aspartylphenylalaninate
25608773.77 30293309.36 46870551.28 142206.58 27370649.86
Methylhistamine
13989114.67 7674253.58 35251243.45 3595098.72 10185900.54
Methyl indole-3-acetate
2998985.34 4843082.74 11062666.90 421238.10 6242990.42
Methylone
4269580.25 16326992.72 7547934.03 51665.10 5090469.63
methyprylon
2824109.31 2099167.44 3003256.93 1055804.92 2096615.54
met-pro
2945583.13 1306124.27 926279.27 44384.94 1309700.90
met-tyr
3252478.79 5338649.09 2887919.38 51709.12 3052679.25
MFCD00010610
6567977.03 3672187.49 7241607.95 792134.13 4024723.73
MFCD00025555
3988360.65 7933672.69 6919530.19 34194.91 4227946.46
MFCD00041932
941463.41 981560.91 8396478.83 667644.10 1692954.43
MFCD00070502
11545071.08 16078584.72 14292471.21 932560.94 11596688.64
MFCD01318772
1488037.93 2273118.95 7964042.68 354646.28 2586880.22
MHPG
480910.67 573676.32 1013811.73 1018329.05 335733.83
ML-236C
110296.88 116035.20 997632.83 59352.43 153343.35
MO4650000
14349535.96 6756307.32 9982134.29 2781984.16 24198807.84
Monobutyl phthalate
8160038.44 6267919.50 9406878.23 599645.55 6655679.02
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide
1250046.63 2422059.94 1886506.81 22620.84 1462323.72
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1...
4131874.81 3964540.10 6886457.60 384494.17 3864331.24
N~2~-Acetyl-L-ornithine
2933587.52 3368020.39 13033911.46 207002.23 4587529.60
N-(2-Amino-3-methylbutanoyl)glutamine
25108692.91 38900305.56 47655344.41 134082.23 33161707.11
N-(2-Amino-4-methylpentanoyl)glutamine
3766813.74 4087468.23 7293934.50 40390.29 3814949.50
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
13850663.68 20863127.29 37152982.35 464426.25 16993131.55
N-(2-Hydroxyethyl)glutamine
4045388.84 4350407.70 8614191.27 719199.73 3848756.72
N-(2-Methylbutyl)-N^-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]...
6843720.49 6792440.05 13833154.09 38184.56 5828270.00
N-[(2S)-2-Hydroxypropanoyl]methionine
2817491.18 1568808.67 1904715.14 36307.37 1592591.69
N-(3,4-Dihydroxyphenyl)glutamine
20118739.40 31440118.57 89297112.81 185344.97 37596408.79
N-(3-acetamidopropyl)pyrrolidin-2-one
3920601.69 6199296.35 7569178.38 123167.18 4518894.53
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-morpholinoacetamide
5538542.12 421700.92 416091.63 431647.27 1292546.54
N4-Acetylcytidine
5499628.34 5610678.39 8685727.41 27767.39 4523857.54
N6-Me-Adenosine
27196358.10 21539487.14 45446429.49 71166.99 22147138.90
N-Acetylhistamine
8050572.08 4038393.13 27738625.48 202782.26 7862982.03
N-Acetyl-L-cysteine
29682863.27 57176831.34 36873508.36 224367.95 12079580.05
N-acetyl-LL-2,6-diaminopimelic acid
18621417.09 27590640.08 51832494.78 309970.27 28487304.77
N-Acetyl-L-leucine
4692083.41 4144643.42 4125530.66 561326.89 2925731.74
N-Acetylnorvaline
11553783.37 12081586.70 37832314.39 372524.48 14581075.75
N-Acetylserotonin
3871039.92 8815429.98 4592317.15 47687.98 5259890.58
N-Acetylvaline
7137220.70 8815942.66 12558665.31 193905.58 6346986.19
N-Acetylvanilalanine
4362292.71 2362324.90 5223426.91 99932.97 4519645.78
Nadolol
11209688.99 21057407.51 24811576.71 335627.31 10688901.45
N(alpha)-gamma-L-glutamylhistamine
16355249.74 20359078.01 81132206.59 75584.42 31064436.90
N-(Carboxyacetyl)phenylalanine
5011826.58 2963384.79 2847493.73 25495.56 2757756.78
N-(Carboxymethyl)norleucine
21925578.67 28436391.11 45008579.81 233617.27 24041160.09
Ne-Acetyllysine
13938976.48 14257974.89 25024046.25 322460.39 12335589.50
Nicotinamide
5449324932.70 5392713454.20 4605728058.40 3169788.12 4201416008.25
Nitrendipine
1150444.53 1693767.00 4131836.11 70339.11 868826.69
Nitrosoguvacoline
385930.80 1468213.09 863299.13 32575.54 977844.58
N-lauroylglycine
8213192.68 3066371.60 6913279.62 383134.12 3663965.42
(+)-N-Methylconiine
2273298.37 3948765.62 12030121.53 221602.76 1959502.48
N-Methylhexanamide
407736.84 575075.70 2199333.60 70720.35 743416.60
N-Methylhistamine
15869788.28 9642377.29 38566679.23 4563526.29 11612702.92
N,N-Diethylethanolamine
25247598.01 44142850.49 65336543.43 59410.89 167187258.22
N,N-dimethylarginine
69190545.02 96784005.56 137397946.28 108849.40 84536142.17
N-Nonanoylglycine
21685663.62 15284017.30 19545940.10 4438905.47 13681595.04
Norketamine
4608937.98 1266906.15 573528.02 26466.15 1703172.72
Northienamycin
2353480.21 1525778.32 1621376.92 54069.11 1198933.35
NP-001346
125726244.48 202600734.35 171892588.99 58586.24 76080105.44
NP-003399
236348.20 374676.38 8360062.14 21951.57 1945903.68
NP-011220
944306.73 1125729.11 3935309.73 25447.26 1537387.00
NP-013176
9546565.80 265826.20 312362.16 23744.45 2581496.38
NP-013663
538088.19 365660.27 8183511.96 41934.40 1944380.27
NP-016455
342295.34 317726.59 1984387.95 29938.85 579166.23
NP-017061
462528.51 314166.47 1700761.78 34041.49 440526.31
NP-018716
7045172.41 3879252.72 7626275.94 677122.98 3675171.71
NP-020014
4167002.38 3802835.35 3906106.84 52083.34 2835837.70
NP-020078
7917249.26 5318507.96 4896703.95 107657.37 4501053.48
NP-021797
12687838.13 6965006.40 3793113.57 61202.22 4797839.68
N-Phenylacetylglutamine
1234765.72 829566.23 1885452.70 22461.58 1027620.25
N-Propionylmethionine
1112153.40 555364.36 1019748.95 19838.57 634900.32
n-Ribosylhistidine
34299449.71 57994721.40 72090092.10 959308.61 55907661.00
NS1800000
3490161.92 5982489.90 5765638.43 205620.60 4476534.20
N-Stearoyltyrosine
311497994.11 339966600.72 210073183.94 99879.32 213276501.50
N-Succinyl-L-diaminopimelic acid
34448783.86 183386563.54 91255662.02 48592.37 66907888.63
N-(tert-Butoxycarbonyl)-L-leucine
1021700287.88 1298152289.20 879404454.14 334098.72 821829755.73
N-Tridecanoylglycine
25165321.13 6387167.14 18538880.44 469651.64 8977056.50
N-Undecanoylglycine
753792094.94 302599038.34 532977404.51 18178033.32 289651002.57
Nupharidine
19161607.13 16124027.66 14109718.72 4316111.39 8728537.87
nylon cyclic dimer
65803.83 98512.31 6653392.65 425231.73 2614794.67
O-(3-Carboxypropanoyl)homoserine
185906644.74 244311825.08 171615815.13 158807.63 221780464.26
Octodrine
9972495.68 7265063.63 10674138.05 1907562.90 25851794.70
Oleamide
17608861.39 13526296.18 29165526.53 13500991.34 15253066.32
Olodaterol
6505243.37 6510207.92 7484313.74 930871.27 5946491.22
ophthalmic acid
56554797.57 33550149.98 182799959.71 82472.09 63305983.29
Otonecine
8388271.44 7081888.56 18133271.81 144402.82 8842132.48
Oxcarbazepine
1822232.82 2201984.13 1528962.50 37539.81 1041733.94
Oxindole
2779006.29 2673913.95 5466134.59 55804.43 2274581.50
oxiracetam
28853687.34 22201392.16 42968443.01 1630651.06 27834086.71
Palmitic Acid
40402346.97 37171789.39 43761438.11 26300865.70 33146794.91
Palmitoleic acid
3479780.33 3065473.23 4258559.86 911034.76 2284948.03
Panthenyl ethyl ether
106989584.91 113289163.28 126155948.67 309882.72 35619664.25
Papaverine
198595.26 265984.94 2244199.77 160026.52 474207.24
PEG-4
43545889.07 48173626.51 88355304.30 29485026.82 46748057.80
PEG n5
3464268.66 69947.88 89088.87 33317.52 835728.16
PEG n6
5261838.97 67961.36 51549.39 22145.46 1198913.88
PEG n7
9441281.07 190646.57 200226.86 24785.64 2313403.44
PEG n8
10506475.29 79789.24 67998.52 22931.80 2591291.77
pentahomomethionine
15637205.79 31574694.05 43888722.41 37225.89 19231936.84
pentobarbital
4684348.39 17396455.18 9731152.74 392201.00 11063924.84
PENTOTHAL
6475677.26 12296787.03 10376234.11 33813.12 7325765.13
Perazine
122799.13 141240.18 8235983.05 287815.02 1661314.11
Phenylacetylglycine
317071471.73 221893553.08 502435613.84 385738.60 245998645.18
Phenylalanylproline
11369645.45 10672874.63 11449128.48 216958.68 8650008.00
Phenytoin
5525429.56 4214747.16 1851639.91 49013.57 1891212.47
Phloretin
11773674.92 53506663.20 8751497.78 22539.53 19720266.69
Pholcodine
26354656.64 42885437.51 48617393.65 240558.83 32479913.82
Phthalic acid
1421044063.38 1613056225.43 784018492.78 11050922.23 1025960738.27
Pipecolic acid
752429075.45 1112073270.59 1043429162.76 2182223.96 973749877.75
Piracetam
589419.09 2203726.93 1683659.92 115264.17 1127279.02
porfiromycin
198284.84 213079.63 1126893.13 19985.00 303695.15
PPG n5
5610756.06 3431651.49 4092262.01 2050245.28 3338098.79
Pramiracetam
3484548.63 1850026.04 2080009.30 67235.09 988182.25
Prenisteine
18126154.93 37232285.92 27280222.58 81346.22 21848148.73
Pro-Hyp
1969975.57 5535751.88 5736939.51 25931.22 3552306.67
Proline
11629874.55 12140204.64 14450922.48 555154.64 3027275.20
pro-met
155296789.64 384452849.54 432881068.97 68203.36 243375215.78
Pro-Pro
25277281.72 21692811.84 23323214.09 404509.24 18828227.26
Propylparaben
1495169.31 2509603.13 5822117.56 533045.96 1969357.05
Prostaglandin A2
2325849.48 1121931.76 2146679.28 66926.64 1558811.89
Prostaglandin E2
51204096.11 21082312.94 41314151.60 184969.95 29110006.44
Prostaglandin F2?
3860752.92 2688736.78 3188271.41 35425.87 2520587.17
Prostaglandin J2
23651846.89 10831000.17 19693200.15 164025.51 14824446.49
Pro-tyr
10710878.82 7628505.83 17498414.83 62823.39 9672542.45
PS(16:0/16:1(9Z))
144563.26 457154.29 1926558.94 83194.53 283668.93
Pyridoxal 5^-phosphate
23898153.27 19982957.07 31836652.20 99071.84 19229572.62
PYRIDOXAMINE
1010980.58 1345214.77 3876483.44 498251.85 1597309.15
Pyridoxamine 5^-phospate
12284206.59 16369356.35 16294113.34 583624.53 16485251.60
Pyrone
3586990.18 3214597.68 8186367.72 99174.91 3407210.48
QS4476500
94392912.02 466038609.29 223246263.83 443961.84 239786022.18
QV1MVO1R
20595822.05 17976298.84 37629564.46 72753.67 19594058.12
(R)-3-Hydroxy myristic acid
2492710.74 2598812.67 3510950.04 238053.52 1839634.86
(+)-Riboflavin
1845969.96 2988638.37 3301097.92 21191.08 1940295.19
riboflavin cyclic 4^,5^-phosphate
31000248.21 22387150.84 45488654.87 61728.07 26499784.91
Rimantadine
6180493.14 2338757.25 4464363.90 120814.26 1994224.35
R-Soterenol
1393354.91 3652693.85 1749739.52 38644.19 2055491.97
S-3-oxodecanoyl cysteamine
428824924.80 394414347.51 189617816.42 556780.15 288986329.50
S-Adenosylhomocysteine
1639839159.75 1642560727.45 1847994887.38 243673.14 1029418639.90
Salicylaldehyde
2043199.23 2736010.27 1991625.83 59214.04 1834494.30
S-Allyl-L-cysteine
358896313.51 1464552203.80 480000739.19 552818.51 576528253.52
S-Benzyl-D-cysteine
1904954.94 2544238.05 643276.67 70067.75 1543642.33
Sebacic acid
9862057.03 6978836.69 13029551.23 851088.61 7031336.34
Selexipag
1052174.14 1463864.16 5177551.94 49149.12 928356.15
Ser-met
2017842.95 2133977.14 2108402.07 42664.87 1531141.27
ser-trp
1629149.30 1515395.53 1643628.64 53057.00 1273221.40
Shogaol
3341468.63 1739241.62 6801907.94 83179.56 2787300.73
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamothioate
4181810.55 5906603.80 15583120.33 24608.80 6220471.40
Sodium [dodecanoyl(methyl)amino]acetate
1096671.72 2452789.27 1806276.98 114955.82 18252668.27
Sorbic acid
395080.08 467260.18 1147023.57 859419.63 452774.98
spermidine
1165939.12 1285203.46 3667542.45 39559.09 1254086.03
SSR161421
1232443.27 1689416.93 1744156.67 70115.65 10720729.02
Styrene
2986225.35 5099219.58 3324583.03 729233.38 3519578.27
Suberic acid
3961734.66 4466298.28 20514959.55 683917.43 6390430.32
Succinic anhydride
65386162.81 74324117.77 78706969.66 1517329.02 76138288.58
Succinylacetone
7106683.61 10145169.65 4394056.97 465561.27 3568022.41
Succinyladenosine
45071353.98 41514650.28 56954866.52 234966.10 36543356.82
Sulcatol
5234430.63 752881.06 631634.01 503688.31 3369095.37
Taurine
82142405.51 104670949.63 96028393.00 14236098.79 106336191.30
Taurocholic acid
1270410.48 1638291.67 677880.12 33585.67 1259035.53
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate
3351778.38 5562017.02 21380455.99 41219.74 6333322.71
Tetraacetylethylenediamine
750696.53 774982.51 12785707.32 46747.49 2877147.29
Tetramethylurea
4352299.76 4952646.91 4504095.11 177017.82 10216688.50
Theophylline
3143132.59 3931044.82 3144084.98 80347.89 2754856.29
Thiorphan
35870873.34 34939064.97 206274.07 25998.24 19521670.70
thiouridine
6957106.36 4940309.46 10505193.84 29038.79 4524584.31
thr-pro
2275597.72 2012159.21 11853613.41 66341.44 2896708.09
Thymidine
3651568.66 4426506.01 5440332.52 34976.83 3556038.86
Thymine
15549614.22 19493581.85 22982462.59 204862.46 15328632.97
Timonacic
27111299.12 41822140.05 60524919.49 253911.12 42816007.13
tioxidazole
173492.57 195984.23 1205535.34 26796.43 365054.33
TKK
161946877.95 196879386.51 154756173.40 35121609.41 46622036.82
trans-3-Hexenoic acid
248479925.45 373439606.66 171726725.05 39239805.87 242905347.95
tricholomic acid
20850959.40 26307791.99 22155637.99 731433.98 19694126.30
Triethylene glycol monobutyl ether
37056203.74 42121637.10 44372594.37 1364299.71 11210881.68
trihomomethionine
2986753.08 5153172.71 6664136.32 48556.54 3441962.14
trilobolide
34230802.58 23667905.83 13391137.49 38160.91 18150029.52
Trimethylenetetraurea
8095063.02 11892315.10 27963501.77 88882.98 9921658.37
Triphenyl phosphate
611709.93 1234386.04 878090.27 92343.98 851453.68
Tris(2-chloroethyl) phosphate
406137.84 317594.31 11661606.29 64613.13 1946833.40
Tris(hydroxymethyl)aminomethane
4213762.01 3351157.00 21927220.39 23798868.96 6834624.17
Troxipide
7907823.86 12039503.61 5137593.99 32811.71 7479622.89
Tyramine
1889293.91 2555452.56 3536627.96 102454.60 1912922.24
UNII:R3KSN48ZFJ
11170786.54 25596391.60 31623103.58 93311.15 16559339.46
Uracil
475042192.14 706529913.90 836934301.71 1870628.87 655059170.40
ureidohomoserine
4085529.18 10764541.75 5558950.44 83996.40 5303647.55
Ureidopropionic acid
18897873.13 13001865.13 16353320.98 1259444.83 9785290.71
Uric acid
123414324.67 111599047.10 116508359.06 123820.35 94746501.93
Urocanic acid
25923425.61 35273937.57 38814637.38 526836.98 26873237.25
UV9702000
2645823.46 10167475.30 7317557.15 274206.90 6792174.87
val-asn
11925444.64 17860697.87 12461129.82 80953.41 11395614.22
Val-Leu
22819071.09 28804394.14 22030351.11 34166.28 20027637.39
val-phe
1995486.29 1910572.86 1661022.16 25439.17 1504518.06
Val-pro
1087868.55 1192227.22 3143752.94 55748.74 1155824.83
Val-Ser
17594621.92 19987770.94 32458776.66 1489273.14 18128879.38
Valylvaline
2818381.17 4528512.11 4198257.17 76092.23 3604862.92
Vanillin
9682929.86 8916414.55 9132014.85 726745.80 1343418.22
Veliparib
1606158.55 1402852.07 3632291.15 212632.11 1702671.30
Veronal
7024753.14 6759704.08 11081696.26 368756.42 6584503.11
vinylglycine
133430141.93 194015547.92 166896347.08 48848649.93 120630774.19
Xanthine
3906516392.60 3667083493.60 2964851360.40 1811066.87 2531981184.00
XT2570000
10180748.47 12675559.14 13680685.55 509528.30 34152974.09
Zalcitabine
45501963.86 73499728.13 113615958.53 167639.38 63917518.26
Zipeprol
235827.01 280652.60 4747895.76 32936.48 1013842.21

Factors:

F1Treatment:HS14 | Source:OM | CF:OM
F2Treatment:HS21 | Source:OM | CF:OM
F3Treatment:LS | Source:OM | CF:OM
F4Treatment:n/a | Source:n/a | CF:OM
F5Treatment:n/a | Source:OM Pool | CF:OM
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