Data for ST003778
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| 11,14,17-Eicosatrienoic acid | 39470.27 | 34864414.40 | 33643768.80 | 44344299.00 | 59371112.60 | 46128434.60 | |
| 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-... | - | 37725640.60 | 46296178.20 | 48779131.00 | 37278433.20 | 57368659.80 | |
| 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol | - | 2499255.25 | 2157617.39 | 2697011.69 | 2919069.65 | 2423924.69 | |
| 1b-Hydroxycholic acid | - | 27454171.50 | 16449157.50 | 15992098.50 | 14842938.45 | 13705177.60 | |
| 1-Methylxanthine | - | 1594643.82 | 2223507.08 | 2092795.59 | 1460690.01 | 3527052.69 | |
| 1-Nitrohexane | 186415.24 | 22841800.80 | 46674069.20 | 36823099.00 | 22419156.10 | 43534586.00 | |
| 1-O-Galloylglycerol | - | 2289487.42 | 2220794.30 | 2215151.75 | 1758040.02 | 1624204.16 | |
| (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat... | 17295.84 | 54000686.60 | 55968651.00 | 40948939.00 | 31440132.20 | 33017025.30 | |
| 2-(1,3-dioxoisoindolin-2-yl)ethanesulfonate | - | 637134.23 | 833298.90 | 996410.58 | 822639.81 | 980924.51 | |
| 2-(1-Methylpropyl)-4,6-dinitrophenol | 19353.02 | 2957309.23 | 4232719.40 | 2846817.62 | 1572986.51 | 2287006.74 | |
| 2-(2-Phenylacetoxy)propionylglycine | - | 9820381.62 | 8850770.65 | 8159052.75 | 6634533.15 | 7290216.83 | |
| 2,3,4,5-Tetrahydroxypentanoic acid | 39610.69 | 24107051.80 | 47349900.50 | 41025482.00 | 29899967.90 | 26167903.00 | |
| 2,3,4-trihydroxy-butanoic acid | 46325.70 | 14806795.90 | 9380060.60 | 16616582.00 | 18124850.10 | 14294037.35 | |
| 2,3,6-Trihydroxypyridine | 23013.19 | 1576311.71 | 2111660.91 | 1843531.47 | 1866928.51 | 1918222.04 | |
| 2,3-dihydro-3-hydroxy-anthranilate | - | 3843331.05 | 2898551.12 | 3208159.62 | 1470524.90 | 2120287.57 | |
| 2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1... | - | 29983439.80 | 22641228.50 | 32932598.50 | 41051676.00 | 37366755.80 | |
| 2,4,6/3,5-Pentahydroxycyclohexanone | - | 3521438.05 | 4696031.95 | 4545936.56 | 4683560.59 | 5917232.45 | |
| 24-methylene-cholest-5-en-3beta-ol-3-sulfate | - | 6019350.30 | 7474952.40 | 7787652.62 | 9234161.85 | 8606478.50 | |
| 2,6-dideoxy-2-acetamidino--L-galactose | - | 6551926.54 | 10944630.35 | 8399764.50 | 3972539.49 | 9936814.36 | |
| 2,6-dideoxy-2-acetamidino--L-galactose_1 | - | 256978.50 | 721207.96 | 683858.61 | 762412.72 | 825599.10 | |
| 2,6-dideoxy-2-acetamidino--L-galactose_2 | - | 1042482.39 | 1576353.28 | 1272624.84 | 566187.74 | 1598737.47 | |
| 2,6-Dihydroxynicotinate | 12219.27 | 248533.98 | 237392.18 | 268976.48 | 284543.83 | 211245.01 | |
| 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-a... | 98793.33 | 5728645.20 | 3125040.31 | 4760212.75 | 4717259.35 | 4799654.10 | |
| 2-amino-5-methyl-muconate semialdehyde | 51903.72 | 525572.68 | 691058.96 | 861836.44 | 694457.44 | 816045.31 | |
| 2-aminogalactopyranose | 26121.10 | 2416718.70 | 2029702.99 | 2005739.69 | 1221399.60 | 1884698.03 | |
| 2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic... | - | 1705442.70 | 1627594.34 | 1361553.91 | 858442.77 | 1073782.13 | |
| 2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}ace... | - | 895754.29 | 521188.27 | 1243349.78 | 1537097.10 | 1359329.36 | |
| 2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}ace... | - | 126735.09 | 142861.22 | 174684.20 | 148816.30 | 165849.65 | |
| 2-Hydroxy-2,4-pentadienoate | 71420.49 | 8974219.10 | 5967813.88 | 7285582.12 | 5802765.25 | 5149969.20 | |
| 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate | 30768.59 | 8690094.90 | 8696565.00 | 9434057.50 | 10898765.50 | 9810725.95 | |
| 2-Hydroxy-6-ketononatrienedioate | - | 15097148.55 | 13507630.20 | 12037932.25 | 8151297.65 | 7974127.60 | |
| 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate | - | 1951628.98 | 1696681.67 | 1664103.06 | 745966.63 | 701471.48 | |
| 2-Hydroxyethanesulfonate | 32214.66 | 6986064.45 | 1228654.26 | 12332358.50 | 14149110.78 | 14227373.80 | |
| 2-Hydroxyglutaric acid | 67228.45 | 21015877.40 | 22777273.80 | 21957564.50 | 23175213.60 | 22175626.40 | |
| 2-Hydroxyhepta-2,4-dienedioate | 11838.23 | 1433472.48 | 743011.54 | 2053476.12 | 2854695.16 | 2482923.21 | |
| 2^-hydroxypyridoxol | 72589.92 | 10421802.90 | 7471777.05 | 10191994.50 | 10280596.15 | 11872981.75 | |
| 2^-hydroxypyridoxol_1 | 65142.75 | 6539944.55 | 6046205.25 | 6806234.12 | 6184239.90 | 7853745.50 | |
| 2-Hydroxystearic acid | 55122.20 | 46341206.00 | 87191436.00 | 69367013.00 | 69381824.20 | 72502972.00 | |
| 2-methyl-3-(sulfooxy)propanoic acid | - | 4002642.10 | 9489082.00 | 6362925.38 | 4383423.05 | 5897163.65 | |
| 2-methyl-3-(sulfooxy)propanoic acid_1 | - | 387224.48 | 419720.71 | 451788.26 | 465140.47 | 360427.38 | |
| 2-methyl-3-(sulfooxy)propanoic acid_2 | - | 760275.45 | 722448.25 | 937652.58 | 812556.55 | 886598.24 | |
| 2-O-Sulfolactate | 14185.75 | 781196.99 | 1500910.59 | 1024977.80 | 514462.63 | 781021.26 | |
| 2-Oxohept-3-enedioate | 53410.34 | 8311990.90 | 5575301.17 | 7915272.38 | 8643165.85 | 8259480.00 | |
| 2-oxopropane sulfonate | 15987.22 | 692107.36 | 684602.23 | 811361.41 | 760087.36 | 788206.50 | |
| 2-oxosuberate | 197163.68 | 6697226.65 | 5722129.58 | 6816995.50 | 6325241.60 | 5790819.56 | |
| 2-[(sulfooxy)methyl]butanoic acid | - | 16358726.70 | 16853866.10 | 20256412.50 | 17186404.00 | 19787373.50 | |
| 3-(1-Formyl-1-propenyl)pentanedioic acid | 22024.05 | 16835241.20 | 12290859.00 | 12761978.75 | 11473487.80 | 9533124.38 | |
| 3-(2,3-dihydroxyphenyl)propanoic acid | 41417.46 | 3809337.80 | 5321639.83 | 4555355.62 | 6270116.97 | 6047152.42 | |
| 3-(3,4-Dihydroxyphenyl)lactic acid | 42832.36 | 6183035.45 | 6377232.55 | 5778866.25 | 5151106.60 | 5336452.70 | |
| 3-(3,4-Dihydroxyphenyl)lactic acid_1 | 47782.31 | 955227.52 | 1397687.24 | 1962910.81 | 2511208.11 | 2367290.42 | |
| 3,3^-Thiobispropanoic acid | - | 2998688.54 | 2336211.02 | 4485296.75 | 6177564.60 | 5631469.65 | |
| 3,4-Dehydrothiomorpholine-3-carboxylate | - | 1657289.98 | 2488414.84 | 3135191.94 | 2492426.45 | 4279667.19 | |
| 3,4-Dihydroxyphenylacetaldehyde | 49205.40 | 1378150.35 | 3261022.88 | 2041691.78 | 1500479.79 | 1986476.93 | |
| 3,5/4-Trihydroxycyclohexa-1,2-dione | 25681.26 | 1649614.69 | 1535456.06 | 1827050.81 | 1743150.34 | 1722854.55 | |
| 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-... | 58568.68 | 13385944.00 | 12349521.70 | 9332992.00 | 5621197.90 | 6345277.00 | |
| 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-... | 25220.76 | 7030985.00 | 5258689.28 | 4868423.38 | 2692002.72 | 3043939.16 | |
| 3,5-Dihydroxyanthranilate | 40042.54 | 439302.70 | 300082.30 | 705213.33 | 763942.40 | 570748.30 | |
| 3-amino-2,3-dideoxy-scyllo-inosose | 32333.44 | 1822987.25 | 1935102.49 | 2855785.38 | 2690826.80 | 4085557.99 | |
| 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid | 17351.20 | 2213575.96 | 2865427.42 | 3009141.12 | 3095659.73 | 3788282.02 | |
| 3-hydroxy-2-methyl-2-[(sulfooxy)methyl]propanoic acid | - | 499790.62 | 779267.07 | 939400.80 | 517956.58 | 675057.44 | |
| 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate | - | 742588.67 | 819362.84 | 953162.12 | 794607.88 | 981464.26 | |
| 3-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate | - | 4640210.08 | 3928670.75 | 4085280.06 | 2927895.36 | 2909654.12 | |
| 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate | 28812.27 | 7303543.50 | 7643313.00 | 8666496.88 | 9880380.95 | 10913087.70 | |
| 3-Hydroxysebacic acid | 19295.53 | 5571556.95 | 7447605.95 | 6027093.38 | 4146411.38 | 6210458.92 | |
| 3-Sulfonatolactate | 16546.81 | 855149.75 | 979143.28 | 1376631.56 | 1443389.24 | 1297541.51 | |
| 3-sulfopropanoate | - | 572221.28 | 542268.71 | 856103.09 | 627112.07 | 851616.17 | |
| 3-sulfopropanoate_1 | - | 474978.23 | 365313.37 | 687685.38 | 490961.98 | 636558.40 | |
| 3^-UMP | - | 668655.21 | 1405689.79 | 1199847.06 | 1373050.13 | 758234.40 | |
| 4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside | - | 3820291.48 | 2392271.45 | 4096217.25 | 5795939.33 | 6919332.91 | |
| (4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid | - | 1110941.34 | 1085101.19 | 1350655.66 | 1218187.28 | 1250079.52 | |
| 4-Hydroxybutyric acid | 247709.95 | 965893.25 | 1038533.63 | 3485156.69 | 3401356.37 | 6210708.83 | |
| 4-Hydroxyphthalate | 15791.14 | 415461.09 | 617141.22 | 653784.86 | 599409.74 | 696541.85 | |
| 4-methylmorpholine N-oxide | 95723.56 | 14264586.20 | 23289010.90 | 16566608.00 | 11105055.00 | 12134388.45 | |
| 4-methylmorpholine N-oxide_1 | 156850.56 | 9357984.10 | 19448435.15 | 13701347.00 | 7816487.45 | 14690140.50 | |
| 4-O-beta-D-Glucosyl-4-hydroxycinnamate | - | 6099636.08 | 5608340.45 | 4295751.44 | 3941059.73 | 3318583.15 | |
| 5,12-dihydroperoxy-6,8,10,14-eicosatetraenoic acid | - | 2795343.92 | 2985815.75 | 2527823.38 | 2357498.23 | 2648067.11 | |
| 5-(2^-Carboxyethyl)-4,6-dihydroxypicolinate | - | 9946860.50 | 9530959.50 | 14871508.00 | 18745537.90 | 17831695.45 | |
| 5-(2^-Formylethyl)-4,6-dihydroxypicolinate | - | 2556033.55 | 2375088.54 | 2835949.50 | 3014298.40 | 2916349.94 | |
| 5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid | - | 2028363.70 | 2849734.53 | 2250019.72 | 1559128.57 | 2383858.57 | |
| 5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid_1 | - | 299230.55 | 1268915.63 | 1924603.56 | 1547436.63 | 1989842.45 | |
| 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline | 32375.98 | 141266271.20 | 183634577.60 | 198432932.00 | 212304459.20 | 242920233.60 | |
| 5-Carboxy-2^-deoxyuridine | - | 517328.60 | 408545.46 | 1060282.84 | 1868001.39 | 1354488.37 | |
| 5-Dehydro-4-deoxy-D-glucarate | 9796.73 | 2295940.07 | 2233848.17 | 4222731.69 | 5204735.71 | 4467860.06 | |
| 5-formyl-3-hydroxy-2-methylpyidine-4-carboxylate | 24905.64 | 1613543.73 | 1327668.36 | 2216617.81 | 3024401.08 | 2736801.86 | |
| (5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyra... | - | 24333847.20 | 24957281.60 | 30456165.00 | 27274817.80 | 30985660.40 | |
| 5-Hydroxypentanoic acid | 428595.34 | 22576826.50 | 18567159.20 | 34039028.00 | 41298452.00 | 36235586.60 | |
| 5-Methoxy-3-hydroxyanthranilate | 30396.34 | 4132769.62 | 3715555.80 | 3818998.25 | 3321980.05 | 3679507.55 | |
| 5-methylbenzimidazole ribotide phosphate | - | 5994811.65 | 7871612.95 | 9371299.50 | 8313329.15 | 7941792.38 | |
| 5-Oxo-D-proline | 205751.12 | 3323514.26 | 3715970.83 | 3012683.00 | 2437608.45 | 2421882.70 | |
| 5-Thymidylic acid | - | 5510821.74 | 7224251.33 | 14085424.00 | 14572122.55 | 16452721.68 | |
| 6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole | - | 2203062.30 | 3055194.02 | 3217236.38 | 3082292.15 | 3489677.41 | |
| 6-(4-carboxy-2-hydroxy-6-methoxyphenoxy)-3,4,5-trihydroxyoxa... | - | 929079.10 | 2904725.52 | 2922164.81 | 3351727.86 | 2935270.50 | |
| 6-deoxy-6-sulfo-D-glucono-1,5-lactone | - | 511303.36 | 632583.83 | 605397.00 | 435468.39 | 484967.46 | |
| 6-Hydroxyindolelactate | 19596.70 | 5608382.55 | 3150271.40 | 6882499.38 | 10060236.10 | 7913122.78 | |
| 6-Hydroxynicotinic acid | 102586.98 | 10999520.25 | 6395970.80 | 13765505.25 | 18419686.40 | 16454619.75 | |
| 7,8-Dihydro-7,8-dihydroxykynurenate | - | 6001942.00 | 5506224.15 | 6244609.00 | 5574092.40 | 6759750.75 | |
| 7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate | 25675.18 | 12040316.15 | 8564705.03 | 7274227.62 | 6892206.00 | 6096329.40 | |
| 9-Hydroxy-4-methoxypsoralen 9-glucoside | - | 10858926.55 | 10670910.43 | 7385179.62 | 4342776.12 | 4189202.36 | |
| Acesulfame | - | 1039465.56 | 1462259.98 | 1368541.88 | 1054078.45 | 1600582.52 | |
| Adenine | 25809.33 | 1403731.84 | 850562.74 | 1119398.14 | 662001.56 | 1399015.52 | |
| Adenosine | - | 4653254.12 | 5186664.33 | 6498370.38 | 6570475.75 | 4438978.92 | |
| Adenosine monophosphate | - | 1335466.63 | 3332675.43 | 2860125.38 | 3303893.72 | 1369552.74 | |
| Ala/Ala/Ala/Ser | 33939.29 | 60182855.60 | 215264375.20 | 133949526.00 | 116511343.10 | 71969958.00 | |
| Ala/Asn/Pro | - | 2856762.94 | 2994167.96 | 2385726.56 | 2383631.98 | 1984545.73 | |
| Alanine | 39717.61 | 1766264.10 | 3061925.92 | 3069285.38 | 2761130.83 | 3853618.86 | |
| Alanyl-Proline | - | 533145.43 | 721315.51 | 663571.80 | 478713.78 | 844033.68 | |
| Allamandin | - | 8616762.05 | 5597813.47 | 5926810.38 | 6262133.45 | 5203709.04 | |
| Aminohydroquinone | 83781.20 | 2540824.73 | 2444676.25 | 2721793.44 | 2290990.94 | 2459030.20 | |
| Antiarol | 18525.57 | 3103657.65 | 2428838.38 | 3337063.19 | 3081455.31 | 3733830.08 | |
| Aromadendrin | - | 10908456.56 | 3945523.08 | 12351238.75 | 18583858.20 | 16245891.08 | |
| Ascorbalamic acid | - | 2620638.86 | 6731094.90 | 5223186.12 | 3498265.09 | 7034768.10 | |
| Ascorbate | 20593.49 | 2908840.01 | 3179248.59 | 5379365.12 | 2839205.02 | 3045090.75 | |
| ascr#11 | 346041.75 | 1861906.52 | 4776616.31 | 2571416.25 | 2237948.67 | 2961097.62 | |
| Asn/Pro/Ser | - | 954584.44 | 1844552.93 | 1444257.34 | 1526370.59 | 884996.69 | |
| Asp/Lys/Thr/Thr/Thr | - | 41853674.80 | 49990579.20 | 31242656.00 | 21937644.45 | 19264485.80 | |
| ATPA | 26636.16 | 3761950.48 | 3487974.90 | 3605876.31 | 2809346.87 | 3714343.75 | |
| Azelaic acid | 100688.83 | 6115758.35 | 4605227.28 | 6415460.75 | 6101826.05 | 7615320.03 | |
| beta-Alanopine | 29908.03 | 22075401.30 | 21829838.60 | 27065886.00 | 28233982.40 | 30904623.60 | |
| bhos_20 | - | 7886606.80 | 6809084.30 | 7617950.25 | 8637019.00 | 8795524.80 | |
| But-1-ene-1,2,4-tricarboxylate | 17319.06 | 507147.44 | 482971.23 | 604946.69 | 538212.65 | 510647.98 | |
| Cathinone | - | 1633654.39 | 1390616.99 | 1294874.09 | 869475.64 | 920571.83 | |
| Chlorogenic acid | - | 2919026.42 | 3105364.45 | 2770611.62 | 1597726.65 | 1760913.59 | |
| Cholesterol sulfate | - | 41768278.20 | 42245770.60 | 44848077.00 | 45715793.60 | 41631753.60 | |
| cis-(homo)3aconitate | 23138.17 | 4054806.30 | 3692180.73 | 3722385.62 | 3244731.83 | 3199633.77 | |
| Citric acid | 20376.78 | 4127311.89 | 19126777.43 | 15220621.75 | 13469269.32 | 11610177.15 | |
| Cucurbitacin F | - | 19791615.20 | 34255268.80 | 30320348.50 | 39277257.85 | 29027899.20 | |
| Cyclodopa glucoside | - | 449298.62 | 617622.33 | 735923.17 | 620739.09 | 630395.93 | |
| Cystathionine ketimine | - | 2293938.31 | 3743619.64 | 2978329.50 | 2929553.17 | 3154392.84 | |
| Cysteinosuccinic acid | - | 65220.39 | 3447706.18 | 1325021.12 | 133245.96 | 203762.47 | |
| daunosamine | - | 414096.24 | 370153.69 | 563303.42 | 844622.02 | 809330.05 | |
| dehypoxanthine futalosine | - | 4245783.70 | 3750675.31 | 3375595.12 | 3139672.10 | 2928532.08 | |
| Deoxyadenosine monophosphate | - | 2271473.08 | 2952398.77 | 4891649.38 | 4967592.22 | 5198794.83 | |
| D-galactopyranosyl trimethylammonium bromide | - | 1921861.06 | 2690395.01 | 2284917.19 | 2815743.60 | 1858790.16 | |
| Dictyoquinazol A | - | 4839642.42 | 6548518.20 | 5932353.00 | 5689981.65 | 5891152.35 | |
| Diethyl tartrate | 17895.89 | 5856584.50 | 3572983.54 | 4373455.81 | 3512515.73 | 3616386.12 | |
| dihomomethionine | - | 971969.68 | 433166.67 | 1604525.50 | 2627552.36 | 2349581.67 | |
| Dihydroferulic acid 4-sulfate | - | 1790513.83 | 3072532.62 | 4668554.75 | 5974630.40 | 6318822.35 | |
| Dihydrouracil | 56620.55 | 7192780.33 | 1578223.78 | 6555083.38 | 7163111.55 | 6454172.62 | |
| D-Man-4,6-pyruvate | - | 2928930.91 | 2854505.64 | 2968540.56 | 2444868.91 | 2604515.67 | |
| Docosahexaenoic acid | 36772.74 | 100770302.40 | 187700560.80 | 173549688.00 | 186738417.60 | 177207277.60 | |
| Docosapentaenoic acid (22n-6) | 13693.65 | 34737193.20 | 33003100.40 | 56594222.00 | 67576463.20 | 74170433.60 | |
| Dodecanoic acid | 4043204.84 | 13566180.55 | 17411582.35 | 19442306.50 | 18422599.20 | 21497961.30 | |
| Epsilon-(gamma-Glutamyl)-lysine | - | 947472.39 | 987846.89 | 1034441.02 | 403838.47 | 547587.35 | |
| Erythrulose | 65200.97 | 1073246.81 | 1891686.51 | 1534523.09 | 1006588.68 | 2099543.06 | |
| Esculentic acid (Diplazium) | - | 7161689.20 | 5620051.20 | 8763298.75 | 11474591.80 | 9537634.70 | |
| FA (18:2) | 2385698.60 | 2071996940.80 | 2734607488.00 | 2375677056.00 | 2234384691.20 | 2153029529.60 | |
| FA (18:3) | 270537.12 | 334433102.40 | 290867953.60 | 264196312.00 | 232081564.80 | 240011992.00 | |
| FA methyl(14:0) | 655986.61 | 203147155.20 | 221168949.60 | 372504952.00 | 510759964.80 | 553723225.60 | |
| Fucosamine | 62548.56 | 918734.06 | 858611.24 | 957459.52 | 992381.25 | 931840.71 | |
| Fukiic acid | - | 9779358.78 | 7123706.67 | 6179106.38 | 3992437.80 | 3039506.14 | |
| furaneol glucopyranoside | 14477.08 | 2531166.02 | 2887148.67 | 2573418.31 | 1284436.91 | 1335781.71 | |
| Galacturonate | 10882.41 | 1209333.04 | 1590265.16 | 1951663.34 | 1740109.10 | 2163306.64 | |
| gamma-Glutamylisoleucine | - | 2161635.05 | 2681222.98 | 2900178.06 | 1904512.50 | 3373302.81 | |
| gamma-Glutamylleucine | - | 4618493.65 | 5541000.75 | 6614183.62 | 6347062.72 | 7038461.22 | |
| Gentisic acid | 18634.62 | 8683154.38 | 7677134.04 | 13859563.75 | 14488040.05 | 19130913.48 | |
| Gluconolactone | 23927.34 | 7913878.65 | 15218121.10 | 13888949.00 | 12627842.05 | 16367105.00 | |
| Glucose | 53728.85 | 14660194.50 | 8042471.80 | 16015005.25 | 24563021.12 | 7985292.35 | |
| Glucuronate | - | 2848425.48 | 2909272.81 | 4992353.38 | 6124104.71 | 6688942.88 | |
| glutamyl-isopropylamide | - | 874145.54 | 679681.73 | 1107099.97 | 1013874.64 | 1149526.80 | |
| Glu/Val/Val | - | 508981.47 | 484963.19 | 603824.31 | 614126.32 | 604638.35 | |
| Glycerol | 282701.32 | 2499174.44 | 5113402.16 | 4184866.06 | 3424285.74 | 4746019.45 | |
| Glycerol 3-phosphate | - | 596643.12 | 1888272.93 | 1961562.00 | 1719085.76 | 2816852.00 | |
| glycerophosphoserine | - | 497176.64 | 998910.50 | 1391266.09 | 1777026.58 | 1592006.01 | |
| Guanine | - | 665007.91 | 810507.17 | 1695346.91 | 1592814.74 | 2316931.23 | |
| Hippuric acid | 21549.73 | 643607.78 | 565407.51 | 736978.34 | 769266.09 | 768434.27 | |
| Homocysteic acid | - | 2183060.75 | 1938011.31 | 2609796.62 | 2505390.60 | 2993277.31 | |
| Hydantoin-5-propionic acid | - | 1535635.76 | 1017388.52 | 895702.77 | 309918.74 | 500977.72 | |
| Hydroxyprolyl-Isoleucine | - | 6299811.80 | 8991604.95 | 7121374.75 | 5375781.92 | 6285417.10 | |
| Hydroxypyruvic acid | 126914.07 | 28310134.60 | 26663771.05 | 22281673.50 | 5916862.33 | 19864477.23 | |
| Hypoglycin B | 14863.43 | 903667.16 | 772402.57 | 934717.08 | 905786.66 | 1060872.73 | |
| Indolelactic acid | 12819.25 | 8347276.28 | 12984059.35 | 11597187.50 | 12773916.05 | 12757874.05 | |
| Inositol cyclic phosphate | - | 1409554.07 | 1120401.19 | 3663334.31 | 4626585.38 | 5243539.89 | |
| Isoleucyl-Alanine | - | 18637928.50 | 35251928.00 | 25603969.50 | 13166017.80 | 33250422.40 | |
| Itaconic acid | 49501.81 | 985654.09 | 2463374.42 | 1912719.00 | 1660878.88 | 2118734.59 | |
| jamaicamide B | - | 99134900.00 | 117226090.40 | 89778918.00 | 62888782.80 | 82106899.20 | |
| Kynurenic acid | - | 13804738.85 | 15609630.40 | 20297691.00 | 20749020.70 | 25966793.80 | |
| Lactic acid | 2961731.93 | 6015640.05 | 6117850.75 | 5913376.88 | 5105529.35 | 5443637.25 | |
| Leukotriene B4 | - | 5180633.92 | 2419507.74 | 5371115.50 | 6150293.06 | 6619910.28 | |
| Lotaustralin | - | 2864683.89 | 2729719.45 | 3029485.56 | 3316381.62 | 3068444.12 | |
| LysoPE(0:0/16:0) | - | 13015883.60 | 14331421.20 | 16371992.00 | 23494514.40 | 21312021.90 | |
| Lysyl-Valine | - | 1304451.69 | 557417.73 | 746757.02 | 187012.67 | 381730.50 | |
| Malic acid | 114203.67 | 18827281.00 | 39147775.80 | 55638967.00 | 47934271.80 | 49061603.40 | |
| Medicagenic acid | - | 25296141.80 | 19720049.10 | 22932823.50 | 23287903.90 | 18717841.55 | |
| Medicagenic acid_1 | - | 72877222.00 | 44000165.40 | 47228283.00 | 51569735.60 | 37561366.30 | |
| Methacholine | - | 1447773.98 | 2068134.77 | 1622114.50 | 2050157.92 | 1596527.50 | |
| Methyloxaloacetate | 15386.96 | 2135721.30 | 2274027.04 | 2140621.28 | 1935421.64 | 2193654.83 | |
| minimycin | - | 731690.58 | 1133702.67 | 1179650.81 | 892473.29 | 1079802.25 | |
| Monomethyl sulfate | 24683.13 | 2888850.48 | 2952944.00 | 3447629.38 | 3606380.08 | 3150864.73 | |
| Mumefural | - | 959402.82 | 1099251.26 | 1167170.62 | 957622.42 | 920247.50 | |
| Myristic acid | 1193659.15 | 53585757.60 | 58988725.20 | 84206444.00 | 102829508.80 | 108410966.40 | |
| N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine | - | 3451152.62 | 4176833.95 | 4780706.38 | 3640993.80 | 4142477.02 | |
| N3-hydroxyethylcytosine | 23910.66 | 6488811.90 | 10240555.20 | 9369368.75 | 8660706.15 | 11925080.50 | |
| N3-hydroxyethylcytosine_1 | - | 2621682.64 | 2368198.66 | 3014703.94 | 2761465.74 | 2735153.74 | |
| N3-hydroxyethylcytosine_2 | 20170.24 | 6256106.20 | 8890636.10 | 7637261.00 | 5613614.28 | 8513416.15 | |
| N3-hydroxypropylcytosine | - | 659727.71 | 1149390.34 | 1113028.64 | 1139848.66 | 1084744.84 | |
| N-[-3-methylhex-2-enoyl]-L-glutamine | - | 5850352.04 | 4891522.72 | 4673156.12 | 2882956.94 | 2748338.06 | |
| N-[-3-methylhex-2-enoyl]-L-glutamine_1 | - | 192488.97 | 156008.08 | 128078.46 | 73656.44 | 83151.49 | |
| N6-Acetyl-L-lysine | - | 1000396.91 | 1790901.65 | 1630314.66 | 1393962.40 | 1674685.60 | |
| N-Acetylgalactosaminate | - | 1191710.78 | 1619411.98 | 2735360.19 | 3327768.39 | 3439492.96 | |
| N-Acetyl-L-aspartic acid | - | 15584436.85 | 35762229.40 | 29837730.50 | 26126364.00 | 30041352.40 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 25388.66 | 8956976.00 | 6993069.80 | 8008489.25 | 8716686.05 | 7531602.30 | |
| N-Acetyl-L-glutamate 5-semialdehyde_1 | 28025.55 | 6922694.05 | 7309790.40 | 9433885.75 | 9354255.40 | 7565046.72 | |
| N-Acetyl-L-glutamate 5-semialdehyde_2 | 40609.71 | 8000823.20 | 7557771.05 | 6586886.75 | 4699459.90 | 6010002.67 | |
| N-acetyl-L-glutaminyl-L-glutamine amide | - | 90538.48 | 118854.40 | 130753.79 | 129167.69 | 144719.87 | |
| N-Acetyl-L-phenylalanine | - | 1244489.05 | 2724974.86 | 3601232.75 | 3913793.42 | 4798430.03 | |
| N-Acetylneuraminate | - | 3944734.12 | 3014085.46 | 5862618.50 | 5643522.08 | 6253071.53 | |
| N-Butyryl-L-homoserine lactone | 34407.68 | 5981547.45 | 6242046.35 | 7069314.88 | 7798089.10 | 8152425.50 | |
| N-D-Glucosylarylamine | 56331.54 | 5356943.92 | 3948697.88 | 4085089.12 | 3764528.20 | 3983280.94 | |
| N-Hydroxy-L-tyrosine | 41608.87 | 32384468.90 | 27308049.30 | 19985738.50 | 11314038.60 | 13010340.75 | |
| (N-Hydroxy-N-methylcarbamoyl)glutathione | - | 943286.99 | 851686.65 | 796950.22 | 465302.68 | 481967.31 | |
| Nicotinate D-ribonucleoside | - | 14494663.05 | 16135602.20 | 13931982.75 | 9818914.25 | 10713073.00 | |
| N-Methyl-2-oxoglutaramate | - | 1227993.63 | 2901627.45 | 2328429.88 | 2568054.95 | 2149762.02 | |
| Normetanephrine | 17001.01 | 2099055.98 | 1164104.99 | 2211413.44 | 2400845.38 | 1547244.96 | |
| Ornithine | 12191.09 | 1709030.83 | 1027943.78 | 1324479.69 | 701949.87 | 1135427.79 | |
| Orotic acid | - | 585578.93 | 6159437.60 | 3054770.06 | 790746.58 | 2432959.08 | |
| Osmundalin | - | 7742283.55 | 5971702.30 | 5427592.38 | 3784009.98 | 3370871.67 | |
| O-Succinyl-L-homoserine | - | 2929472.64 | 4356676.85 | 5789700.62 | 7182016.35 | 7119573.90 | |
| Oxalic acid | 48944.31 | 519341.42 | 1054131.52 | 806275.38 | 541439.67 | 746907.62 | |
| oxo-1-carboxy-5,6-dihydrothiopyranpropanoate S-oxide | - | 517868.02 | 634048.35 | 776210.59 | 756018.93 | 998463.26 | |
| Oxoadipic acid | 27917.24 | 7055867.00 | 5425812.78 | 7472179.25 | 8384856.25 | 7833077.28 | |
| Oxoglutaric acid | - | 2364788.64 | 4435246.64 | 8232352.00 | 10026013.26 | 10010371.68 | |
| Paucine | - | 4135679.49 | 3387105.70 | 3652697.88 | 2775485.73 | 3569453.96 | |
| PC(13:0) | - | 21662264.20 | 21867557.40 | 26488070.00 | 33328722.60 | 32136779.40 | |
| P-DPD | - | 950549.46 | 1082957.58 | 1200681.03 | 1499160.64 | 852171.14 | |
| pentalenolactone D | 31149.92 | 2152466.61 | 2560568.75 | 2831579.31 | 2960402.01 | 2891400.88 | |
| Phenol sulphate | - | 301010.89 | 439264.40 | 572040.68 | 651694.26 | 786148.69 | |
| Phenoxyacetic acid | 219766.63 | 3826257.67 | 3847773.30 | 4174017.00 | 3840455.35 | 4280687.88 | |
| Phenyllactic acid | 94438.20 | 149537077.60 | 118308963.20 | 206218004.00 | 256545548.80 | 245208310.40 | |
| Phlorin | - | 14454019.70 | 13950308.05 | 11879945.25 | 9576276.95 | 9445709.62 | |
| Phlorin_1 | - | 737919.92 | 1002285.96 | 815358.80 | 293538.34 | 312997.17 | |
| Picolinic acid | 76681.01 | 1039810.19 | 852426.74 | 1521826.94 | 1561909.74 | 1584277.18 | |
| PMETAM | - | 504314.57 | 1812962.94 | 1405142.16 | 1257522.13 | 1631880.17 | |
| Prenyl glucoside | - | 6404193.10 | 5643026.78 | 6469362.25 | 6667848.55 | 7143174.53 | |
| Prenyl glucoside_1 | - | 2168029.10 | 1816127.62 | 2578027.12 | 2733994.96 | 2195750.94 | |
| Prephenate | - | 2382700.31 | 2451902.16 | 2892088.56 | 3911857.52 | 3301010.62 | |
| pyridine-N-oxide | 31698.60 | 1229447.74 | 1181275.33 | 1252157.84 | 810554.92 | 865823.20 | |
| Pyridoxine | 50690.75 | 4489548.00 | 2918546.85 | 4677308.25 | 5244607.72 | 4865001.55 | |
| Pyrogallol-2-O-glucuronide | - | 3269494.98 | 4017951.55 | 3241039.81 | 2374645.02 | 2881968.85 | |
| Quinic acid | 39122.83 | 2810011.38 | 2833651.15 | 4304215.19 | 5013362.15 | 5312983.90 | |
| (R) 2,3-Dihydroxy-3-methylvalerate | 27946.02 | 2195300.93 | 2274614.39 | 2787691.75 | 2642465.30 | 3620511.26 | |
| Ranunculin | - | 2985715.77 | 3816350.27 | 2717911.88 | 2708243.64 | 2296535.92 | |
| Rhamnono-1,4-lactone | 114339.22 | 138064097.40 | 96624349.60 | 78783246.00 | 42837378.20 | 42668028.90 | |
| Rhamnose | 48657.39 | 29327160.00 | 18631511.90 | 34505921.00 | 41752672.60 | 50928977.60 | |
| Ribose | 29373.18 | 73053584.80 | 55023498.80 | 71634840.00 | 65347838.00 | 73303057.60 | |
| Scopolin | - | 3374012.22 | 3260275.86 | 2431854.11 | 2334357.21 | 1660049.63 | |
| (S)C(S)S-S-Methylcysteine sulfoxide | 662475.42 | 1450893.69 | 1500435.12 | 1823707.94 | 1689617.74 | 1769992.38 | |
| Scytalone | 366139.09 | 10992070.35 | 7467702.60 | 11523128.00 | 14201311.10 | 11013600.55 | |
| sn-glycero-3-Phosphoethanolamine | 26936.64 | 4388288.24 | 5151776.42 | 11199128.25 | 21823675.65 | 13303505.30 | |
| Stizolobate | - | 4686334.58 | 4787520.97 | 6110858.88 | 6152063.00 | 7365698.15 | |
| Succinic acid | 148828.90 | 42022266.10 | 111068681.20 | 82850644.00 | 59191013.40 | 81320716.20 | |
| Sulfate | 7059302.80 | 12323951.50 | 12114282.20 | 14945535.50 | 15016682.70 | 16766135.20 | |
| sulfonic acid | - | 18815523.50 | 39796442.70 | 32577065.00 | 26387181.00 | 48775640.40 | |
| sulfonic acid_1 | - | 1750262.72 | 1401575.32 | 1267494.38 | 876178.40 | 1238311.85 | |
| sulfonic acid_2 | - | 3271183.99 | 2202600.56 | 3558028.81 | 4457332.00 | 4391217.78 | |
| sulfoquinovose | - | 935570.43 | 1219086.19 | 1337521.56 | 1074634.36 | 1325321.20 | |
| tetracenomycin A2 epoxyquinone | - | 1140880.34 | 1955393.46 | 2100174.19 | 1361353.95 | 1973400.61 | |
| tetrahomocitrate | 13433.16 | 3837724.84 | 3577215.29 | 2642313.62 | 2162725.31 | 1802482.68 | |
| Theanine | - | 749145.81 | 1224283.68 | 948875.30 | 667442.61 | 999785.43 | |
| Thr/Ala/Ala | - | 2793961.48 | 9901069.38 | 5136366.88 | 1167129.06 | 2013501.06 | |
| Thr/Pro/Pro | - | 1624163.73 | 2795905.08 | 1886546.34 | 1192110.09 | 1802733.23 | |
| Thymidine | - | 11683889.30 | 12778128.10 | 22183533.00 | 25092681.30 | 31677503.90 | |
| Traumatic acid | 61030.66 | 26313436.00 | 33157934.80 | 44684459.00 | 48566902.20 | 50552664.80 | |
| trichotriol_1 | 17566.65 | 13444867.60 | 10314014.07 | 22611639.50 | 25722133.70 | 33204792.70 | |
| trichotriol_2 | 31547.86 | 24152395.30 | 15575311.75 | 39769273.00 | 42280626.00 | 55925886.20 | |
| Tryptophan | - | 3083708.30 | 4153903.08 | 4527344.88 | 3790584.02 | 5232970.83 | |
| Tryptophanamide | - | 422867.04 | 1097826.90 | 1192265.84 | 1458865.62 | 1384900.12 | |
| Tyrosine | 30142.80 | 11737264.50 | 26228621.30 | 22067174.50 | 16349557.30 | 25643604.80 | |
| Tyrosine methyl ester 4-sulfate | - | 639095.40 | 651896.53 | 780053.28 | 816268.26 | 813539.32 | |
| Uracil | 43841.05 | 2736258.51 | 3979825.08 | 5421133.00 | 5476429.92 | 8269207.03 | |
| Uric acid | - | 924196.30 | 1401038.05 | 1892325.94 | 1859467.64 | 2249136.90 | |
| Urocanic acid | 101362.92 | 2241999.10 | 1249011.79 | 1711865.91 | 1442886.27 | 1793205.89 | |
| Valeric acid | 905735.68 | 30442850.15 | 38864758.40 | 36838898.50 | 26913240.50 | 45713941.20 | |
| Volkenin | - | 9853500.00 | 9431486.85 | 6112734.62 | 9820733.70 | 10084883.30 | |
| Xanthine | - | 2092621.61 | 4092813.77 | 5971652.88 | 6662439.78 | 10263530.62 | |
| Xanthurenic acid | - | 1416346.19 | 922234.53 | 1431808.38 | 1900204.25 | 1765678.16 | |
| Xylono-1,5-lactone | 44274.37 | 1330400.83 | 906441.84 | 1582255.16 | 1416983.80 | 1769378.96 |
Factors:
| F1 | Sample source:Extraction solvent | treatment:Extraction solvent |
| F2 | Sample source:mice stool | treatment:Non_responder_donor A |
| F3 | Sample source:mice stool | treatment:Non_responder_donor B |
| F4 | Sample source:mice stool | treatment:pooled QC |
| F5 | Sample source:mice stool | treatment:Responder_donor C |
| F6 | Sample source:mice stool | treatment:Responder_donor D |
