Data for ST002010
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10-hydroxy-undecanoic acid | 185224959.30 | 229554811.33 | 695362233.50 | |
| 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-... | 613064.00 | 1199832.67 | 11949882.00 | |
| 1,2-dioctanoyl-1,2,6-hexanetriol | 222651336.29 | 217397373.00 | 193344907.50 | |
| 1,2-dioctanoyl-1-amino-2,3-propanediol | 3239624.33 | 7611620.67 | 9106182.67 | |
| 12-epi-hapalindole F (isothiocyanate) | 4040337.83 | 1918925.33 | 1254415.80 | |
| 1,6,8-trimethylallantoate | 12429830.14 | 7241284.83 | 7806437.67 | |
| 1,8-Diazacyclotetradecane-2,9-dione | 447787694.50 | 456764396.83 | 442612224.50 | |
| 1-carboxymethylpyridinium | 2586543.50 | 355467.00 | 167785.00 | |
| 1-Isothiocyanato-7-(methylsulfinyl)heptane | 12898840.71 | 8704998.50 | 9502370.33 | |
| 1-Methylhistidine | 24553318.44 | 32891119.17 | 30765075.00 | |
| 1-Nitrohexane | 111411108.00 | 191290003.83 | 200211557.83 | |
| 1-Pyrroline-5-carboxylic acid | 790926.50 | 2118209.33 | 6282328.60 | |
| 1-thio--D-glucose | 372594.25 | 232920.00 | 727459.33 | |
| 20-hydroxy-fusarin | 83382823.50 | - | - | |
| 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione | 2846733.10 | 2349349.33 | 2440500.50 | |
| 2,3-Diaminosalicylic acid | 434790.33 | 538830.60 | 489414.33 | |
| 2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic acid | 2228207.71 | 1482264.83 | 1233119.60 | |
| 2,5,6-Trihydroxy-5,6-dihydroquinoline | 9996151.67 | 26481818.67 | 12766605.83 | |
| 2-Aceto-2-hydroxybutanoic acid | 1065102932.50 | 1789579213.50 | 2052373737.33 | |
| 2-Amino-5-(methylthio)pentanoic acid | 1566342.71 | 1565537.67 | 1718077.83 | |
| 2-Aminoheptanoate | 49092017.60 | 128740021.17 | 134623917.50 | |
| 2-C-Methyl-D-erythritol 4-phosphate | 513451236.57 | 157303386.00 | 167059821.17 | |
| 2-Diethylaminoethanol | 4057899.00 | 3381610.67 | 4596001.00 | |
| 2-Dodecylbenzenesulfonic acid | 23822779.86 | 13013030.33 | 14623588.00 | |
| 2-Heptenal | 3650230.50 | - | 458168.50 | |
| 2-Hydroxy-2,4-pentadienoate | 6959371.71 | 4937260.83 | 4464159.00 | |
| 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid | 3631267.33 | 3768104.00 | 3982162.33 | |
| 2-Hydroxy-4-(methylthio)butanoic acid | 4606976.33 | 2441271.50 | 2476698.60 | |
| 2-Hydroxycaproic acid | 2216100.38 | 4216994.17 | 4583110.17 | |
| 2-Hydroxyglutaric acid | 3197555.00 | 3832326.17 | 8118760.50 | |
| 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate | 1968893.00 | 2454105.83 | 2502981.67 | |
| 2-Hydroxyundecanoate | 3995912293.40 | 6985503161.67 | 6380411323.33 | |
| 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate | 3168157.50 | 2847392.67 | 3870066.17 | |
| 2-Methylacetophenone | 776607.86 | 667517.20 | 1612217.40 | |
| 2-methylaminoacrylate | 12324157.14 | 7048979.83 | 7019092.00 | |
| 2-Methylbutyroylcarnitine | 94357213.71 | 266219885.50 | 239330581.00 | |
| 2-O-Methylcytosine | 4390353.00 | 11543923.75 | 16753949.33 | |
| 2-oxohexa-4,5-cyclopropyl-5-enoate | 14501259.33 | 23038855.83 | 22033877.83 | |
| (2R,4S)-2,4-Diaminopentanoate | 4157259.43 | 2575914.00 | 2761772.17 | |
| 2-trans,6-trans-Farnesal | 18179300.60 | 35068230.33 | 30706168.67 | |
| 3,3^-Thiobispropanoic acid | 1824195.14 | 1989554.00 | 2814664.00 | |
| 3,4-Dehydrothiomorpholine-3-carboxylate | 5064086.33 | 7715224.33 | 3822744.17 | |
| 3,4-dichloro-tridecanoic acid | 910096.83 | 550690.25 | 7054731.00 | |
| 3,4-Dimethyl-5-pentyl-2-furanundecanoic acid | 5986740.60 | 4904610.50 | 5932059.33 | |
| 3,5-dibromocatechol | - | 12086097.00 | 1650726.50 | |
| 3-Aminobenzenesulfonate | 8072562.00 | 11215678.17 | 8729078.67 | |
| 3b,12a-Dihydroxy-5a-cholanoic acid | 43168644.86 | 3770662.83 | 7939632.50 | |
| 3^^-Chloro-3^^-deoxytriphasiol | 83297764.86 | 20986122.17 | 77139946.83 | |
| 3-(Cystein-S-yl)acetaminophen | 9464169.33 | 13464789.00 | 4694917.60 | |
| 3-Dehydroquinate | 4303797.57 | 3030269.00 | 5749882.67 | |
| 3-Ethylmalate | 9111003.86 | 7746215.83 | 8202046.33 | |
| 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine | 3564829.00 | 3815471.00 | 4089403.33 | |
| 3-hydroxypyridine | 1501373.40 | 2130980.67 | 2193691.67 | |
| 3-Indoleglycolaldehyde | 38213581.86 | 15838522.00 | 13663877.67 | |
| 3-(methylsulfanyl)acryloate | 3294971.43 | 2738508.83 | 3925703.50 | |
| 3-nitro-2-pentanol | 998963.14 | 791894.17 | 1176399.67 | |
| 3-Oxooctadecanoic acid | 5423071.57 | 4143995.67 | 4425715.33 | |
| 4-({2-[(3-{2-[2-(acetyloxy)propan-2-yl]-7-oxo-2H,3H,7H-furo[... | - | 355830.33 | 4251038.33 | |
| {4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]p... | 6331797.67 | - | - | |
| 4beta-Hydroxyobovatachromene | 1022323.00 | 595544.33 | 2832565.67 | |
| 4-Guanidinobutanoic acid | 30593262.14 | 31725253.67 | 53929247.00 | |
| 4-Hydroxybutyric acid | 1959513.38 | 3618122.83 | 3272651.83 | |
| 4-Hydroxyglutamate semialdehyde | 3443542.50 | 2196378.00 | 3320114.33 | |
| 4-Hydroxymethylphenylhydrazine | 740863.71 | 615627.17 | 595169.67 | |
| 4-Hydroxy tolbutamide | - | - | - | |
| 4-Imidazolone-5-propionic acid | 3022122.86 | 1670855.33 | 6866022.83 | |
| 4^-methoxycyclopenine | 1965854.25 | 1864872.33 | 1743246.67 | |
| 4-methylmorpholine N-oxide | 45128023.80 | 88125082.50 | 109909561.50 | |
| 4-Nitroaniline | 2501491.20 | 1929264.17 | 2221451.67 | |
| 4-Oxoproline | 1143502500.20 | 1986063188.67 | 2115625945.50 | |
| 5,7-Dihydroxyflavone 7-benzoate | 2215395.50 | 2108287.33 | 6815040.67 | |
| 5-Acetamidovalerate | 1768486.70 | 3127146.00 | 2339655.33 | |
| (5^-(but-3-en-1-yn-1-yl)-[2,2^-bithiophen]-5-yl)methyl aceta... | 2214683.33 | - | - | |
| 5-Dehydro-4-deoxy-D-glucarate | 74068216.00 | 49794592.17 | 70344921.67 | |
| 5-guanidino-3-methyl-2-oxo-pentanoate | 2516518.71 | 5484830.33 | 20735551.33 | |
| 5-Hydroxypentanoic acid | 12137768.10 | 12969111.67 | 14291809.83 | |
| 5-Methylcytosine | 1489601.57 | 698124.67 | 808419.67 | |
| 5^-Methylthioadenosine | 196804442.33 | 335137769.83 | 336614025.83 | |
| 5-Pyridoxolactone | 469652.12 | 552257.33 | 642547.50 | |
| 5-Sulfoxymethylfurfural | 19268165.00 | 28225607.67 | 33117386.33 | |
| 6,11-dihydroxy-3-(hydroxymethyl)-7-(3,4,5-trihydroxyphenyl)-... | 17491155.86 | 15494503.00 | 24462029.17 | |
| 6,9,12,15,18,21-Tetracosahexaynoic acid | 1658709.57 | 1789744.50 | 1326173.00 | |
| 7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone | 9649365.86 | 8765109.83 | 9293981.83 | |
| 8-Oxocoformycin | 3352657.86 | 3898391.67 | 3918189.67 | |
| 9^-Carboxy-alpha-chromanol | 68823546.90 | 137936116.67 | 153846903.50 | |
| Acetylcarnitine | 113124498.29 | 226788727.50 | 313865683.00 | |
| Acetylcarnosine | 6002340.67 | 1562262.00 | 985041.00 | |
| Adenine | 2527504.62 | 5834297.50 | 7790259.33 | |
| Adenosine | 5350019.80 | 4676412.67 | 7144990.67 | |
| Adenosine triphosphate | 2271064.33 | 1513872.20 | 1254600.17 | |
| ADP-Mannose | 300109.33 | 366427.83 | 372557.33 | |
| Adrenochrome o-semiquinone | 440132673.43 | 242465898.50 | 425061088.83 | |
| Ala/Asn/Ser | 831004.83 | 681253.83 | 769223.83 | |
| Ala/Asp/Asp/Asp/Glu | - | - | - | |
| Ala/Cys/His/Asn/Gln | 2757961.43 | 3402966.50 | 4095443.17 | |
| Ala/Cys/Ser/Thr/Thr | - | - | - | |
| Ala/Glu/Glu/His/Arg | 457979.67 | 1281310.67 | 1660707.00 | |
| Ala/Ile/Ile/Val/Val | 2680652.20 | 1434055.83 | 1276005.83 | |
| Ala/Leu/Arg/Arg | 93826849.90 | 49566793.00 | 45323917.67 | |
| Ala/Met/Pro/Tyr | 7955382.57 | 7406012.83 | 8397486.67 | |
| Ala/Met/Thr/Asp | 5972986.40 | - | - | |
| Alanine | 46182642.29 | 26891369.33 | 67110481.83 | |
| Alanyl-Serine | 2888700.86 | 1547266.83 | 1328463.33 | |
| Ala/Phe/Lys/Arg/Arg | 1140993.00 | 1010357.67 | 1000121.17 | |
| Ala/Thr/Ser/Tyr | - | 1583857.00 | 9283755.33 | |
| Allantoin | 4142575.00 | 1633522.67 | 1470171.67 | |
| Allysine | 14785371.60 | 20223249.83 | 18650998.33 | |
| alpha-Irone | 6891174.80 | 2406416.17 | 1987407.50 | |
| alpha-Ketoisovaleric acid | 26835991.80 | 98635707.50 | 93965153.33 | |
| Aminoadipic acid | 8208263.29 | 2270108.17 | 2735951.80 | |
| aminocaproamide | 11967970.71 | 1019765.00 | 849186.50 | |
| a phenothiazine | 179461.00 | 3734145.33 | 556761.00 | |
| Arabitol | 6746698.29 | 5654056.17 | 5297403.17 | |
| Arachidonic acid | 10005254.43 | 1363102.33 | 1647264.67 | |
| Arbutin | 21534141.14 | 17955982.50 | 18369991.83 | |
| Argenonic acid | 9342907.80 | 5812079.83 | 18412583.17 | |
| Arginine | 483914569.80 | 470784980.67 | 472990126.33 | |
| Arg-OEt | 30696966.71 | 43661773.83 | 49489240.50 | |
| Arg/Thr/Pro/Pro | - | 713025.00 | 2312452.00 | |
| ascr#24 | 12061886.86 | 9308427.83 | 9587403.67 | |
| Asparagine | 51081697.57 | 6003009.00 | 6941368.83 | |
| Asp/Arg/Arg/Thr/Tyr | 3522120.00 | 649941.33 | 584391.33 | |
| Aspartic acid | 75887951.00 | 10389402.50 | 6394702.33 | |
| Aspartyl-L-proline | - | 548500.00 | 1350771.33 | |
| Asp/Gly/His/Pro/Trp | 6756026.00 | - | - | |
| Asp/Thr/Asp/His | 3858010.25 | - | - | |
| ATPA | 824255.71 | 1685682.67 | 1370225.00 | |
| aureothricin | 329512.33 | 351168.75 | 517358.17 | |
| benzenamine sulfate | 2815473.33 | 3192794.00 | 2829787.83 | |
| benzodiazepinedione | 1383567.29 | 860780.33 | 14419670.67 | |
| Betaine | 655998841.80 | 1039385883.00 | 1023105398.00 | |
| biolumazine | 2443356.33 | 4897454.67 | 3637525.00 | |
| Bis-D-fructose 2^,1:2,1^-dianhydride | 3585000.33 | - | - | |
| Brassicanal B | 1015506.90 | 500320.00 | 458632.33 | |
| Butyrylcarnitine | 303418304.50 | 1195933869.00 | 865573343.17 | |
| Capric acid | 10922836.90 | 17692110.67 | 18585706.00 | |
| Caprylic acid | 6975727.10 | 10713661.67 | 9067385.50 | |
| CAPS | 82700860.86 | 83179264.67 | 76657821.00 | |
| Carmustine | 576065.00 | 1117317.75 | 2278851.00 | |
| Carnitine | 322783469.62 | 579712294.17 | 758475454.50 | |
| Carnosine | 4328945.14 | 1604046.50 | 1641805.33 | |
| casuarine | 661278.00 | 1444315.33 | 1191826.33 | |
| CHAPS | 9850488.00 | 12109825.00 | 11120221.83 | |
| Chloropyramine | 9436259.33 | 12076535.50 | 10523673.33 | |
| cis-Acetylacrylate | 2933310.00 | 2686211.33 | 2338105.00 | |
| Citric acid | 10426558.00 | 10415716.17 | 8134343.50 | |
| Citrulline | 45205647.29 | 6638457.67 | 11917327.00 | |
| Creatine | 1867962256.57 | 3262037390.83 | 3724639421.33 | |
| Creatinine | 1216016255.71 | 1195505743.83 | 1184836364.67 | |
| Cyclovariegatin | 4863979.00 | 2323627.00 | 1137585.00 | |
| Cys/Asp/Glu/Pro/Thr | - | 727440.00 | 2389671.67 | |
| Cys/Lys/Lys/Gln/Arg | 1802710.00 | 598184.67 | 1459826.00 | |
| Cys/Met/Met/Met/Trp | 1173247.00 | 665979.00 | 678450.33 | |
| Cys/Met/Phe/His | 14938337.33 | 5813576.67 | 20911815.50 | |
| Cystathionine | 3640109.67 | 6677177.50 | 2971994.60 | |
| Cysteine-S-sulfate | 5576215.00 | - | - | |
| Cystine | 69572148.25 | - | - | |
| Cytidine | 13443890.86 | 910593.83 | 2896521.17 | |
| Cytosine | 5065913.14 | 766746.00 | 1281674.00 | |
| deacetylcolchicine | 2576523.80 | - | - | |
| Dehydrophytosphingosine | 2907411.20 | 2204041.33 | 1878950.83 | |
| Deoxyuridine | 668090.60 | - | - | |
| Desmosflavone | - | - | - | |
| Dihydrothymine | 133969668.14 | 92112939.67 | 147901068.83 | |
| Dihydrozeatin riboside monophosphate | 55454927.00 | 152181507.67 | 162107276.50 | |
| Dimethylglycine | 18823572.40 | 16609829.67 | 19532745.83 | |
| DL-2-Aminooctanoic acid | 20548399.43 | 40354648.67 | 44219598.00 | |
| Dodecanoic acid | 23208555.20 | 27647451.00 | 28101290.50 | |
| dodecyltrimethylammonium | 89428304.71 | 10621557.50 | 17558300.50 | |
| Dopamine quinone | 2197492.67 | 7380982.33 | 10971065.67 | |
| Duloxetine | 2426369.86 | 565781.00 | 382195.00 | |
| eicoseneoylcarnitine | 13438830.00 | 29626483.33 | 33378811.33 | |
| Ergothioneine | 5217123.67 | 1517398.67 | 4748699.50 | |
| erucamide | 89045603.50 | 95394167.50 | 47190847.17 | |
| Ethiin | 2322799.00 | 530594.00 | 1466428.00 | |
| FA (13:2) tridecadienoic acid | 9324649.10 | 4072448.67 | 3969253.33 | |
| FA (18:2) | 7744740.50 | 5018155.00 | 5728310.33 | |
| FA methyl(14:0) | 9447931.70 | 7554403.00 | 7977727.33 | |
| FA methyl(8:0) | 27778783.80 | 29324311.83 | 34860635.17 | |
| FA oxo(16:0) | 2150729.22 | 2164399.33 | 2445130.67 | |
| Fasoracetam | 2935669.14 | 2334322.33 | 3048472.17 | |
| FMPP | 157322.00 | 232957.00 | 175741.33 | |
| Folic acid | 1859270.29 | 1370032.17 | 1922421.83 | |
| formylaminopyrimidine | 267080998.00 | 241204465.17 | 218106826.17 | |
| Fructosamine | 26147465.43 | 13869595.17 | 11141660.00 | |
| Fulvinervin B | 51422559.40 | - | - | |
| furaneol glucopyranoside | - | 239526.00 | 1897451.33 | |
| Galactose | 21696318.29 | 22470982.00 | 15947135.00 | |
| Gallagic acid | - | 1972032.33 | 2899932.67 | |
| gamma-Glutamylvaline | 324893.25 | 716103.00 | 2584981.50 | |
| GDP-3,6-dideoxy-D-galactose | 1921358.67 | 1099789.33 | 3481777.00 | |
| Gln/Leu/Lys/Tyr | 593410.33 | - | - | |
| glucose | 37644847.29 | 35852948.67 | 25287239.33 | |
| Glucosylsphingosine | 1488103.00 | 3493341.67 | 3353733.67 | |
| Glu/Ile/Pro/Pro/Tyr | 6017802.43 | 4428699.33 | 3243947.67 | |
| Glu/Met/Met/Tyr | - | - | - | |
| Glu/Met/Phe | 2694719.67 | - | - | |
| Glu/Ser/Val | 459692.50 | 527047.00 | 2545144.33 | |
| Glutamic acid | 113725612.71 | 262923761.00 | 180417935.33 | |
| Glutamine | 2177944389.43 | 385759480.50 | 358667802.67 | |
| glutamyl-L-alaninol | 2922948.86 | 1230725.40 | 1399600.20 | |
| Glutarylcarnitine | 2990370.86 | 5962675.17 | 7890907.40 | |
| Glutarylglycine | 9245223.00 | 11990304.60 | 20310139.67 | |
| Glutathione | 13970890.00 | 20979479.50 | 13573654.00 | |
| Glyceric acid | 1059543.57 | 791591.83 | 1241879.00 | |
| Glycerol 3-phosphate | 3643626.17 | 4329819.33 | 8214823.50 | |
| Glycerophosphocholine | 727637361.10 | 1194764135.33 | 2260265905.17 | |
| Glycerophosphoglycerol | 3013572.17 | 3909162.50 | 4883911.67 | |
| Glyceryl lactopalmitate | 175343.67 | 353492.33 | 638484.33 | |
| Guanidoacetic acid | 12185487.86 | 22043673.83 | 38029032.83 | |
| Heptadecanoic acid | 10502492.30 | 7669461.00 | 8279894.83 | |
| Heptaethylene glycol | 12158024.00 | 2553548.83 | 2937671.33 | |
| HETE di-endoperoxide | 6651765.86 | 8722548.67 | 6475931.33 | |
| Hippuric acid | 103640783.14 | 115117677.50 | 111209824.33 | |
| His/Met/Phe/Gly | 969200.33 | - | - | |
| Histidine | 96620928.70 | 26771945.00 | 71094601.83 | |
| Homo-L-arginine | 3422493.14 | 3673416.33 | 4256172.83 | |
| hydrogen acetylphosphonate | 6012423.80 | 4827879.67 | 8718465.33 | |
| Hydroxybutyrylcarnitine | 3080255.67 | 3899656.17 | 3342402.50 | |
| hydroxy-N-acetyl-(L)-arginine | 34677284.00 | 22501814.67 | 17697978.33 | |
| Hydroxyphenyllactic acid | 8721105.00 | 10304103.33 | 12948943.83 | |
| hydroxypyridine N-oxide | 302497.88 | 667972.17 | 633081.83 | |
| Hydroxypyruvic acid | 544601.14 | 372455.67 | 1104333.50 | |
| Hypoxanthine | 51865293.25 | 777752.00 | 843461.00 | |
| Ile/Lys/Pro | 634216.00 | 942847.67 | 1181877.83 | |
| Ile/Thr/Ser/Ser | 1001480.43 | 3110096.00 | 17754167.00 | |
| Imidazoleacetic acid | 2719040.00 | 4425466.50 | 5166201.17 | |
| Imidazoleacetic acid riboside | 4345830.14 | 3130507.83 | 5284516.00 | |
| indole-3-acetyl-isoleucine | 3543610.00 | 1481148.50 | 4730280.75 | |
| Indoleacetaldehyde | 9286303.67 | 14213073.17 | 18253204.50 | |
| Indolelactic acid | 3256835.71 | 2665882.67 | 3476448.67 | |
| Indolepyruvate | 369258.00 | 398739.33 | 256967.75 | |
| Indoxyl | 10636964.43 | 10156288.00 | 11708752.17 | |
| Isoleucylproline | 4979674.57 | 5123789.83 | 5678522.33 | |
| Isoputreanine | 2452058.14 | 1430552.83 | 1524121.17 | |
| Koryoginsenoside R1 | 390862.00 | 318398.20 | 1169197.67 | |
| Lactic acid | 259546596.00 | 870282770.50 | 853043132.17 | |
| Lenticin | 471882.67 | 764551.33 | 672061.00 | |
| Leucine | 1258600397.00 | 1874676352.50 | 1904979627.17 | |
| Linoelaidyl carnitine | 8516005.33 | 18556619.00 | 17816666.00 | |
| Lysine | 141417689.75 | 198726310.67 | 230021048.33 | |
| Lys/Lys/Lys/Met/Tyr | 3237254.75 | 781153.00 | 4063824.33 | |
| LysoPC(18:1) | 29821964.57 | 7371690.67 | 10604925.67 | |
| Lysyl-Valine | 12765263.14 | 28018251.33 | 31830432.17 | |
| Malic acid | 78417514.71 | 192346539.67 | 176852350.83 | |
| Malonic semialdehyde | 672507.00 | 915192.33 | 911935.00 | |
| malyl alpha-D-glucosaminide | 489924.67 | 323949.67 | 3201279.33 | |
| Mannitol | 118802762.14 | 56386721.00 | 56802119.67 | |
| Maximaisoflavone B | 7709960.40 | - | - | |
| Met/Cys/Pro | 1185473.00 | 10772450.67 | 12743411.00 | |
| Methionine | 954822446.86 | 790107425.17 | 944249538.00 | |
| Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate | 80703111.14 | 89941386.83 | 89276193.83 | |
| Methyl cinnamate | 1336777.50 | 1413385.83 | 1422689.00 | |
| Methylimidazoleacetic acid | 10043926.86 | 9332866.83 | 10915523.17 | |
| metoprine | 4742650.29 | 4554775.50 | 4333412.83 | |
| Met/Phe/Gly | 1039422.00 | 716319.00 | 3134906.00 | |
| Montalicin A | 2200936.60 | 1799352.00 | 2619261.00 | |
| Muramic acid | 1027753.29 | 861385.00 | 20235034.00 | |
| myo-Inositol | 39063090.71 | 44835449.33 | 42614487.17 | |
| Myristic acid | 59243388.60 | 49915148.83 | 52687068.33 | |
| N-(1-Deoxy-1-fructosyl)phenylalanine | 6813768.86 | 18878796.50 | 124277780.17 | |
| N-(1-Deoxy-1-fructosyl)proline | - | - | 1028451.33 | |
| N-(1-Deoxy-1-fructosyl)tyrosine | 1409712.00 | 1077838.25 | 16125983.67 | |
| N-(1-Deoxy-1-fructosyl)valine | 4381048.14 | 10038495.67 | 36615720.00 | |
| N1,N8-Diacetylspermidine | 14688682.00 | 31943059.33 | 47942228.33 | |
| N2-Fructopyranosylarginine | 108115007.00 | 24111711.33 | 200615549.40 | |
| N2-gamma-Glutamylglutamine | 6616142.43 | 617587.50 | - | |
| N-(2-hydroxypentadecanoyl)-phytosphingosine | 4817400.71 | 2662230.17 | 1661429.33 | |
| N-(2-hydroxytridecanoyl)-4,8-sphingadienine | 1183362.00 | 2022519.33 | 3931580.67 | |
| N-(2-hydroxyundecanoyl)-4,8-sphingadienine | 2110768.33 | 3416182.67 | 5499754.33 | |
| N2,N2-Dimethylguanosine | 1391613.14 | 2233686.50 | 2702675.67 | |
| N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprol... | 2305392.25 | - | - | |
| N3-hydroxyethylcytosine | 6321488.43 | 3686182.67 | 4295652.33 | |
| N6-Acetyl-L-lysine | 6035666.00 | 6338137.83 | 9416306.67 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 2887294.43 | 2280577.33 | 2056733.50 | |
| N(6)-Methyllysine | 5412425.71 | 8622293.83 | 8529197.50 | |
| N6,N6,N6-Trimethyl-L-lysine | 28996173.14 | 30976682.33 | 37264490.17 | |
| N-a-Acetyl-L-arginine | 1635180.00 | 842353.67 | 1461740.17 | |
| N-acetyl-9-O-acetylneuraminate | 1104534.00 | 1808290.33 | 2428283.33 | |
| N-Acetylaspartylglutamic acid | 59500351.00 | 18050014.17 | 31515637.67 | |
| N-Acetyl-beta-alanine | 14556614.71 | 16200830.00 | 22762144.17 | |
| N-Acetyl-D-glucosaminate | 1824552.67 | - | 2449896.33 | |
| N-acetyl -D- glucosaminitol | 2052051.00 | 1609163.67 | 2280777.33 | |
| N-Acetyldjenkolic acid | 1663521.00 | - | - | |
| N-Acetyl-D-mannosaminolactone | 1754238.14 | 8629934.50 | 12996353.83 | |
| N-Acetylglutamic acid | 9015256.67 | 3134786.50 | 5670461.33 | |
| N-acetyl-L-2-aminoadipate(2-) | 7460164.43 | 7585056.17 | 10302771.17 | |
| N-Acetyl-L-aspartic acid | 66271635.00 | 64764203.50 | 75816138.00 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 13417383.43 | 23405788.83 | 22141011.50 | |
| N-Acetylneuraminate | 6394963.67 | 2196870.33 | 45946506.33 | |
| N-Acetylvanilalanine | 2883608.67 | 2894186.33 | 2918413.67 | |
| NAD | 37080402.67 | 33237477.67 | 30978358.17 | |
| Nalpha-Methylhistidine | 57719875.43 | 40385202.83 | 44349042.00 | |
| N-Desmethylaminopyrine | 24190725.00 | 21943772.50 | 23241537.67 | |
| N-Desmethylzopiclone | 1111657.57 | 1366290.83 | 995362.67 | |
| Ne,Ne dimethyllysine | 8563935.14 | 11428349.00 | 16366540.17 | |
| Neryl formate | 2691823.60 | 2337931.17 | 3137950.67 | |
| N-hydroxyisoleucine | 37819752.14 | 27632296.50 | 45672488.83 | |
| N-hydroxy-L-pipecolate | 11627099.90 | 8272558.17 | 9657132.33 | |
| N-hydroxyvaline | 6551675.00 | - | 425086.50 | |
| N-lactoyl-Tryptophan | 2249488.14 | 6507949.67 | 2872053.20 | |
| N,N-dihydroxyhomomethionine | 8829751.71 | 1724067.00 | 4076620.00 | |
| N-Nitrosoproline | 1491959.00 | 479423.75 | 1919109.33 | |
| norcisapride | 817003.00 | 1339974.00 | 2009256.25 | |
| Norepinephrine sulfate | 401961.33 | 940645.00 | 1041900.00 | |
| N-phosphocreatinate(2-) | 2041880.67 | 1858379.67 | 2882449.17 | |
| N-Undecylbenzenesulfonic acid | 27244551.25 | 16558885.50 | 17983978.50 | |
| O-Acetylserine | 20943130.57 | 36495223.50 | 48889188.00 | |
| octadecenoic acid | 31383508.60 | 27082309.00 | 33716244.17 | |
| Octadecyl fumarate | 22056850.40 | 16091220.67 | 19170458.00 | |
| Octaethylene glycol | 7476691.10 | 1964059.83 | 2325234.17 | |
| Oleoylcarnitine | 100621540.33 | 228217624.00 | 184111211.75 | |
| O-Phosphoethanolamine | - | - | - | |
| Ornithine | 110048372.57 | 67792349.67 | 62294498.67 | |
| Oxidized glutathione | 20016217.33 | 17726696.17 | 19778570.33 | |
| Oxoglutaric acid | 4518874.50 | 11560701.17 | 22392543.83 | |
| Oxomemazine | 627601.00 | 237910.00 | 2649744.67 | |
| PA(30:3) | 2475883.57 | 3159968.17 | 2816278.00 | |
| PA(35:6) | 1100481.67 | - | 1528527.33 | |
| Palmitic acid | 742177044.90 | 764056820.50 | 789208121.00 | |
| Palmitoleic acid | 6809400.33 | 6511500.17 | 7206609.83 | |
| Palmitoylcarnitine | 62587491.33 | 133091805.33 | 161789961.33 | |
| Pantothenic acid | 265967471.71 | 472411693.50 | 494434443.50 | |
| PC(12:0/20:1) | 44745719.14 | 74865816.17 | 110501588.83 | |
| PC(14:0/20:2) | 37674534.29 | 90277893.83 | 120333474.00 | |
| PC(14:0/22:4) | 6556289.00 | 11203418.67 | 13822692.17 | |
| PC(14:1/22:2) | 12709340.00 | 26850420.50 | 35397520.67 | |
| PC(16:0/22:4) | 7657473.86 | 9671487.67 | 11975087.83 | |
| PC(16:0/22:5) | 7336875.86 | 10478156.67 | 14736721.50 | |
| PC(16:0/22:6) | 4478623.14 | 5841295.83 | 8775423.17 | |
| PC(18:1/18:1) | 44454949.71 | 82377323.33 | 154213355.00 | |
| PC(18:1/22:6) | 5951808.33 | 4309810.33 | 6910595.17 | |
| PC(MonoMe(11,3)/MonoMe(11,3)) | 5441781.00 | 4367427.83 | 8328647.67 | |
| PE(15:0/20:2) | 24410361.67 | 26916318.00 | 29165769.83 | |
| PE(16:0/16:0(9Cp)) | 16719383.00 | 18777529.17 | 20507650.50 | |
| Penicilloic acid | 459135266.00 | 384160495.50 | 389879189.00 | |
| Pentadecanoylcarnitine | 10141790.57 | 10240612.17 | 13106160.00 | |
| PG(16:0/18:1) | 2464396.33 | 1632517.67 | 4535495.50 | |
| PG(16:0/18:2) | 1710678.33 | 1531047.33 | 2879471.17 | |
| PG(18:1/22:6) | 2794217.67 | 2315262.83 | 4772163.17 | |
| PG(22:6/22:6) | 1063724.00 | 690483.00 | 1618749.83 | |
| PGP(a-13:0/i-22:0) | 401445.67 | 936687.50 | 1326054.67 | |
| Phe/Ile/Met/Arg/Val | 5215266.14 | 1506023.33 | 1469520.00 | |
| Phenolsulfonphthalein | 487142769.00 | 416855625.50 | 684163551.83 | |
| Phenol sulphate | 1558542.00 | 2534563.50 | 4657760.17 | |
| Phenylacetylglycine | 67903585.57 | 80238084.00 | 84506685.83 | |
| Phenylalanine | 1369797877.29 | 1720944672.67 | 1525572884.00 | |
| Phenyllactic acid | 3311227.00 | 1672991.17 | 2672887.67 | |
| phenyl sulfoxide | 42426203.86 | 78617191.00 | 76464857.00 | |
| Phe/Phe/Ile/Met/Pro | 10593998.00 | - | - | |
| Phlorin | 2430125.67 | 5026262.00 | 12532849.33 | |
| Phosphohydroxypyruvic acid | 3664374.75 | 3563413.83 | 2710356.33 | |
| Phosphorylcholine | 820794870.86 | 1948176777.00 | 687066038.67 | |
| Phytuberin | 14508487.90 | 20755379.83 | 21152713.50 | |
| PI(16:0/20:2) | 3502503.00 | 3394610.83 | 6575110.17 | |
| PI(16:0/22:4) | 1845801.33 | 2221531.17 | 3085615.17 | |
| PI(18:1/20:4) | 1745304.67 | 1318640.50 | 2310537.83 | |
| Picolinamide | 629167501.20 | 791951271.50 | 553825138.00 | |
| Pimelic acid | 7117157.60 | 10655670.33 | 14954126.83 | |
| Pipecolic acid | 21751165.90 | 13986147.67 | 24655651.17 | |
| Piperidine | 83449226.38 | 102088987.17 | 109237690.00 | |
| potassium dihydrogen phosphate | 398780.67 | 723229.50 | 942156.00 | |
| Proline | 2290100643.50 | 2832996329.83 | 3353919005.83 | |
| Propionylcarnitine | 48495066.00 | 61507183.00 | 77229142.17 | |
| PS(16:0/18:0) | 2436555.33 | 2086998.50 | 3857706.33 | |
| PS(18:0/18:0) | 4736588.33 | 4128704.80 | 9596940.67 | |
| PS(18:0/18:2) | 3635190.33 | 3864934.17 | 5690490.67 | |
| PS(20:1/22:6) | 965172.00 | 1730655.00 | 2466956.67 | |
| PS(22:5/22:5) | 2507293.00 | 1606189.00 | 3499304.00 | |
| PS(37:1) | 1403398.33 | - | 518440.00 | |
| PS(39:4) | 1520324.67 | - | - | |
| PS(41:6) | 1075716.00 | - | - | |
| Pseudouridine | 5911078.00 | 4632878.17 | 5477387.83 | |
| psicoselysine | 1472872.00 | 3241335.33 | 34540073.00 | |
| Pyridoxal | 13357003.17 | 23291262.83 | 16699321.33 | |
| Pyridoxine | 737854546.00 | 835890090.83 | 1025674394.00 | |
| pyrithiamine phosphate | - | 468300.00 | 1458033.67 | |
| Pyrogallol-2-O-glucuronide | 2395347.67 | 3466162.33 | 2007917.67 | |
| Pyruvic acid | 3929387.50 | 17850817.50 | 13711617.50 | |
| Quercetin 3^-sulfate | - | 623814.00 | 667912.33 | |
| (R) 2,3-Dihydroxy-3-methylvalerate | 771338.00 | 1370784.33 | 1762953.50 | |
| rCdRP | 702205.00 | - | - | |
| Ribitol 5-phosphate | 6215275.83 | 652874.67 | 355911.67 | |
| Secobarbital | 2751678.90 | 1457032.83 | 1300435.50 | |
| Secologanate | - | 628972.00 | 2683293.67 | |
| Serine | 50919999.57 | 5731811.20 | 35528076.00 | |
| Slaframine | 3132631.30 | 5380744.33 | 5013694.17 | |
| sn-glycero-3-Phosphoethanolamine | 2037168.33 | 1557428.83 | 2057742.83 | |
| sodium dodecyl sulfate | 937237758.80 | 296122319.00 | 200662519.17 | |
| Stearic acid | 590257526.90 | 632287997.17 | 656673424.17 | |
| stipitatonate | 4355946.86 | 5661205.17 | 7619750.50 | |
| Succinic acid | 11301058.11 | 16348779.50 | 18689970.50 | |
| sulfonic acid | 6815409.00 | 1115148.00 | 1737090.00 | |
| Targinine | 1328869.71 | 2277706.50 | 2464866.67 | |
| Taurine | 14275675.43 | 39856078.50 | 40025202.83 | |
| tembetarine | 2734557.29 | 1667545.83 | 1314682.33 | |
| Tetracosahexaenoic acid | 11935438.40 | 1512200.00 | 5868454.00 | |
| Theanine | 28083448.86 | 17966677.67 | 26997206.33 | |
| Thiomorpholine 3-carboxylate | 203247848.75 | - | - | |
| Threonine | 185707150.14 | 35244220.17 | 63260529.00 | |
| Tiglylcarnitine | 1522846.57 | 2398911.33 | 4282708.50 | |
| tirandamycin E | 5915273.50 | - | - | |
| trans-2-Tetradecenoylcarnitine | 2623335.75 | 6731362.00 | 8616422.00 | |
| trans-Dodec-2-enoic acid | 3352171.67 | 3987334.17 | 3927697.17 | |
| trans-Hexadec-2-enoyl carnitine | 17584592.00 | 39113161.67 | 45351483.67 | |
| Tridecanoic acid | 2587731.00 | 3000729.67 | 2968481.00 | |
| Triethanolamine | 2956551.00 | 2381617.83 | 2086100.33 | |
| triethylene glycol | 2886853.70 | 5711587.17 | 5833278.83 | |
| Trifluoroacetic acid | 3049574.44 | 3901689.50 | 3489282.67 | |
| Tryptophan | 177498182.14 | 140856989.17 | 281037163.83 | |
| tunicamine | 10413727.50 | 2656070.67 | 1183436.00 | |
| tyrosinal | 68554558.38 | 132806810.33 | 147425388.17 | |
| Tyrosine | 71240115.43 | 63934297.67 | 98093151.67 | |
| UDP-2-acetamido-3-acetamidino-2,3-dideoxy--D-mannuronate | 708322.00 | 11583914.00 | 16370628.33 | |
| Undecanoic acid | 3845566.40 | 4890422.17 | 6064733.50 | |
| Uracil | 4194608.14 | 5540384.83 | 5234152.83 | |
| Uridine diphosphate glucose | 5986764.33 | 5139762.83 | 5803019.83 | |
| Uridine diphosphate glucuronic acid | 3735305.00 | 4461678.00 | 4648095.50 | |
| Uridine diphosphate-N-acetylglucosamine | 1606534.67 | 3289578.40 | 1568606.50 | |
| Uridine triphosphate | 436218.33 | 498122.83 | 400280.00 | |
| Valine | 753696038.10 | 793633593.33 | 984327485.67 | |
| Viscutin 1 | - | - | - | |
| Voglibose | 1199452.33 | 150596.00 | - | |
| Xanthoplanine | 4372195.67 | - | - | |
| xi-gamma-Undecalactone | 275230580.78 | 395817604.67 | 531780886.67 |
Factors:
| F1 | Chemoresistance Status:N/A |
| F2 | Chemoresistance Status:Resistant |
| F3 | Chemoresistance Status:Sensitive |
