Data for ST003307
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 1,10-Epoxygermacrone | 2955375.00 | 1535000.00 | 460916.67 | 2062000.00 | |
| 11-Oxohexadecanoic acid | 1154375.00 | 1169750.00 | 1195500.00 | 1173000.00 | |
| 1,2,3,4-Tetrahydronaphthalene | 100473.75 | 81647.50 | 96883.33 | 96750.00 | |
| 1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperi... | 143425.00 | 131675.00 | 108906.67 | 135033.33 | |
| 1,25-Dihydroxy-16-ene-23-yne-vitamin D3 | 127450.00 | 123075.00 | 88793.33 | 98166.67 | |
| 1,25-Dihydroxy-19-norvitamin D3 | 52882.50 | 24717.50 | 200033.33 | 66930.00 | |
| 1,25-Dihydroxyvitamin D3-26,23-lactone | 2552125.00 | 1905500.00 | 3278000.00 | 2513666.67 | |
| 1,2,5-Trihydroxypyrrole-3-sulfonic acid | 125675.00 | 134450.00 | 117066.67 | 129533.33 | |
| 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one | 17020.29 | 3034.00 | 68858.33 | 28810.00 | |
| 12-Hydroxy-8,10-octadecadienoic acid | 1313000.00 | 1126500.00 | 1019700.00 | 1217666.67 | |
| 12-Ketodeoxycholic acid | 519187.50 | 212650.00 | 499616.67 | 463300.00 | |
| 12-oxo-PDA | 179487.50 | 144550.00 | 152916.67 | 168600.00 | |
| 12(S)-HETrE | 672837.50 | 761850.00 | 573816.67 | 649133.33 | |
| 12S-HHT | 257200.00 | 237300.00 | 244366.67 | 256966.67 | |
| 13,16,19-Docosatrienoic acid | 1390187.50 | 553800.00 | 3661333.33 | 1839000.00 | |
| 13,16-Docosadienoic acid | 19303.00 | 9350.00 | 76310.00 | 37916.67 | |
| (13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid | 5924125.00 | 4241500.00 | 2387000.00 | 4572666.67 | |
| 13(S)-Hydroperoxylinolenic acid | 50743.75 | 48005.00 | 42631.67 | 52763.33 | |
| 15-Deoxyprostaglandin J2 | 167466.67 | 12815.00 | 196533.33 | 100996.67 | |
| 15-keto-PGE1 | 1248625.00 | 1224500.00 | 1082083.33 | 1181333.33 | |
| 16-Hydroxyhexadecanoic acid | 209537.50 | 249100.00 | 221683.33 | 343533.33 | |
| 17-Hydroxylinolenic acid | 1524625.00 | 1512000.00 | 1629500.00 | 1551666.67 | |
| 1-Carboxycyclohexaneacetic Acid | 20917.50 | 19935.00 | 14830.00 | 17360.00 | |
| 1-Isopropyl citrate | 45770.00 | 38212.50 | 38561.67 | 44523.33 | |
| 1-Methyl-1,3-cyclohexadiene | 486187.50 | 284300.00 | 1058000.00 | 648433.33 | |
| 1-Methyl-2-hydroadenosine | 203887.50 | 163250.00 | 208216.67 | 203066.67 | |
| 1-Methyl-2-Pyrrolidinone | 7685.12 | 10693.50 | 4766.67 | 8230.00 | |
| 1-Naphthol | 26695.00 | 14715.00 | 32290.00 | 26433.33 | |
| 1-Pentanol | 226787.50 | 258200.00 | 197700.00 | 245266.67 | |
| 20-Carboxy-leukotriene B4 | 1024925.00 | 693325.00 | 251416.67 | 726900.00 | |
| (20E)-Ginsenoside F4 | 173923.75 | 28340.00 | 963100.00 | 381500.00 | |
| (20R)-Ginsenoside Rh2 | 757450.00 | 272875.00 | 2569833.33 | 1134666.67 | |
| 22-Angeloylbarringtogenol C | 494175.00 | 221525.00 | 1388000.00 | 763533.33 | |
| 2,2-Dimethyl-5-hydroxy-1-pyrrolidinyloxy | 110980.00 | 100997.50 | 58801.67 | 94853.33 | |
| 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic aci... | 102786.25 | 109475.00 | 167133.33 | 128266.67 | |
| 2,4,4-Trimethylcyclopentanone | 60830.00 | 63352.50 | 63746.67 | 61750.00 | |
| 2,5-Heptadien-1-ol | 150475.00 | 131775.00 | 142533.33 | 142133.33 | |
| 2(5H)-Furanone | 72292.50 | 36872.50 | 197866.67 | 109566.67 | |
| 25(R)-Hydroxyprotopanaxadiol | 11242.00 | - | 437366.67 | 86263.33 | |
| 2-Acetoxy-4-Pentadecylbenzoic Acid | 329037.50 | 337575.00 | 353983.33 | 340433.33 | |
| (2alpha,3beta)-20(29)-Lupene-2,3,28-triol | 422987.50 | 133830.00 | 1476500.00 | 673833.33 | |
| 2-Amino-2-methyl-1-propanol | 135883.75 | 110800.00 | 99890.00 | 121733.33 | |
| 2-Amino-3-cyclohexylpropanoic acid | 764825.00 | 837925.00 | 605883.33 | 755466.67 | |
| 2-Amino-4-oxo-6-(1^,2^-dioxoprolyl)-7,8-dihydroxypteridine | 84953.75 | 75170.00 | 94873.33 | 82530.00 | |
| 2-Aminobutan-1-ol | 46451.25 | 47630.00 | 39275.00 | 48796.67 | |
| 2-Butyne-1,4-diol | 6632.25 | 8857.25 | 7712.00 | 76220.00 | |
| 2-Cyclopentene-1,4-dione | 262050.00 | 242750.00 | 264633.33 | 268066.67 | |
| 2-(Diisopropylamino)ethanol | 614825.00 | 609250.00 | 561350.00 | 592766.67 | |
| 2-Hexenoylcarnitine | - | - | 6710.67 | 991.90 | |
| 2-hydroxy-3-methyl-2-Cyclopenten-1-one | 70458.75 | 68357.50 | 62881.67 | 67086.67 | |
| 2-Hydroxy-4-oxo-5,12-heneicosadien-1-yl acetate | 5470875.00 | 5392250.00 | 5304000.00 | 5478666.67 | |
| 2-Hydroxyacetophenone | 92218.75 | 147550.00 | 28988.33 | 91596.67 | |
| 2-Hydroxyadenine | 440462.50 | 361800.00 | 662983.33 | 486400.00 | |
| 2-Hydroxypent-3-enenitrile | 23657.50 | 21355.00 | 15688.33 | 22790.00 | |
| 2-Hydroxypurine | 483212.50 | 437275.00 | 775233.33 | 583933.33 | |
| 2-Keto-6-acetamidocaproate | 42091.25 | 44787.50 | 53348.33 | 42873.33 | |
| 2-n-Propyl-4-oxopentanoic acid | 1253875.00 | 1547000.00 | 1052033.33 | 1288333.33 | |
| 2-(Octadecyloxy)ethanol | 4134375.00 | 4173500.00 | 3583000.00 | 4155333.33 | |
| 2-Pentyl-3-phenyl-2-propenal | 114627.50 | 11543.50 | 139283.33 | 104366.67 | |
| 2-Phenyl-1,3-propanediol monocarbamate | 32328.75 | 29232.50 | 15315.00 | 27940.00 | |
| 2-Phenylacetamide | 369412.50 | 420700.00 | 197833.33 | 364700.00 | |
| 2-Phenylethanol glucuronide | 5093.62 | 3435.50 | 40788.33 | 13590.00 | |
| 2-Pyrrolidinone | 88865.00 | 89415.00 | 77406.67 | 88460.00 | |
| (2S,3S)-3-Decyl-2-Hydroxy-2-(3-Methoxy-3-oxopropyl)butanedio... | 1826375.00 | 1906250.00 | 110500.00 | 1360666.67 | |
| 2-trans-6-cis-Dodecadienal | 56092.50 | 39512.50 | 49583.33 | 50093.33 | |
| 3,4-dihydroxyphenylacetic Acid | 72230.00 | 42050.00 | 100675.00 | 77000.00 | |
| 3,4-Dimethyl-5-pentyl-2-furanpropanoic acid | 20425.00 | 18532.50 | 106398.33 | 41406.67 | |
| 3-(4-Hydroxy-3-methoxyphenyl)-2-methylpropionic acid | 27891.25 | 15960.00 | 103625.00 | 47146.67 | |
| 3,5,5-Trimethyl-1,2-cyclohexanedione | 1220000.00 | 1322000.00 | 1497333.33 | 1384666.67 | |
| 3,5-Dihydroxy-6,7-megastigmadien-9-one | 64942.50 | 30370.00 | 427716.67 | 158366.67 | |
| 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid | 154533.75 | 61002.50 | 219433.33 | 142300.00 | |
| 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate | 11014.67 | 5000.00 | 234700.00 | 59393.33 | |
| 3alpha-Hydroxyoreadone | 93138.75 | 33752.50 | 112066.67 | 90110.00 | |
| (3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol | 563237.50 | 721100.00 | 654233.33 | 663533.33 | |
| 3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole | 695082.50 | 2400500.00 | 228850.00 | 1127666.67 | |
| (3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-di... | 18840.00 | - | 162300.00 | 40133.33 | |
| 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbo... | 31051.00 | 9316.00 | 140355.00 | 23580.00 | |
| (3E,5E)-1,3,5-octatriene | 396275.00 | 313050.00 | 535216.67 | 424366.67 | |
| (3E,5Z)-3,5-Octadien-1-ol | 241775.00 | 260200.00 | 178100.00 | 230000.00 | |
| 3-ethylphenyl Sulfate | 15930.00 | 9791.50 | 10823.00 | 12230.00 | |
| 3-Hydroxy-4-aminopyridine sulfate | 91636.25 | 92885.00 | 85498.33 | 94403.33 | |
| 3-Hydroxyibuprofen | 5993.41 | 1887.75 | 36473.33 | 11743.33 | |
| 3-Iodoprop-2-yn-1-yl Butylcarbamate | 127362.50 | 122700.00 | 115766.67 | 109766.67 | |
| 3-Ketosphingosine | 55356.25 | 70420.00 | 79955.00 | 54713.33 | |
| 3-Methyl-3H-imidazo[4,5-f]quinolin-2-Amine | 27283.75 | 29732.50 | 21928.33 | 27433.33 | |
| 3-Methylsuberic acid | 35550.00 | 33797.50 | 27398.33 | 33130.00 | |
| 3-O-(beta-D-Glucopyranosyl)-soyasapogenol B | 516316.25 | 104532.50 | 2197000.00 | 969833.33 | |
| 3-Oxo-12,18-ursadien-28-oic acid | 794225.00 | 494600.00 | 1907000.00 | 1021333.33 | |
| (3S,3^S,5R,5^R,6R)-3,6-Epoxy-5,6-dihydro-3^,5,8^-trihydroxy-... | 2836500.00 | 2206250.00 | 2351666.67 | 2692666.67 | |
| (3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one | 16655.00 | 4929.50 | 222750.00 | 68960.00 | |
| 4-(1,1,3,3-Tetramethylbutyl)-phenol | 42570.00 | 53660.00 | 63481.67 | 49963.33 | |
| 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone | 168150.00 | 211275.00 | 230600.00 | 184966.67 | |
| 4-[(2R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]bu... | 22931.25 | 11195.00 | 191266.67 | 70570.00 | |
| 4-[[4-[(1-propylsulfonylpiperidin-4-yl)methyl]phenyl]methoxy... | 92791.25 | 67732.50 | 27141.67 | 74040.00 | |
| 4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone | 128075.00 | 106125.00 | 134016.67 | 125966.67 | |
| 4,5-Dihydrovomifoliol | 34965.00 | 17127.25 | 60388.33 | 57466.67 | |
| 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol | 316550.00 | 140917.50 | 735633.33 | 361066.67 | |
| 4alpha-Methylzymosterol | 725175.00 | 334475.00 | 966400.00 | 705300.00 | |
| 4-Amino-5-hydroxymethyl-2-methylpyrimidine | 8291.12 | 9280.50 | 5454.67 | 7429.33 | |
| 4-Aminobutyraldehyde | 3529.50 | 3414.00 | 4028.17 | 3752.33 | |
| 4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al | 61615.00 | 99310.00 | 81823.33 | 66063.33 | |
| 4-Guanidinobutanoic Acid | 39045.00 | 40900.00 | 29943.33 | 38333.33 | |
| 4-Hydroxybenzaldehyde | 22912.50 | 24732.50 | 21951.67 | 24250.00 | |
| 4-Hydroxymethylpyrazole | 7954.75 | 7730.75 | 10532.17 | 9088.00 | |
| 4-Hydroxynonenal | 37192.50 | 30885.00 | 52170.00 | 40636.67 | |
| 4-Hydroxyquinoline | 46206.25 | 42247.50 | 46940.00 | 45676.67 | |
| 4-Hydroxyretinoic acid | 86066.25 | 17521.75 | 6681.00 | 36930.00 | |
| 4-Mercapto-ethyl-pyridine | 564212.50 | 557200.00 | 505333.33 | 552133.33 | |
| 4-Methyl-5-Thiazoleethanol | 22025.00 | 28447.50 | 29208.33 | 25456.67 | |
| 4-O,6-O-Benzylidene-alpha-D-glucopyranose | 19154.62 | 8054.25 | 163916.67 | 56893.33 | |
| 4-Octylphenol | 18652.86 | 5074.00 | 80395.00 | 19386.67 | |
| 4-oxo-Retinoic acid | 134675.00 | 157000.00 | 29181.67 | 111600.00 | |
| 4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl- | 1464375.00 | 1598250.00 | 972283.33 | 1358333.33 | |
| 4-Vinylcyclohexene | 32813.75 | 22130.00 | 125666.67 | 51683.33 | |
| 5,6,7,8-tetrahydro-2-Naphthoic Acid | 5476.75 | 4042.50 | 29771.67 | 13163.33 | |
| 5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one | 117812.50 | 102130.00 | 104508.33 | 112333.33 | |
| 5,6-Epoxy-8,11,14-eicosatrienoic acid | 92746.25 | 68832.50 | 105506.67 | 94943.33 | |
| 5-(6-hydroxy-6-methyloctyl)furan-2(5H)-one | 41048.75 | 11878.25 | 590766.67 | 197766.67 | |
| 5alpha-Androst-1-en-3-one | 256825.00 | 132875.00 | 79015.00 | 171100.00 | |
| 5^-Deoxy-5-fluorouridine | 13072.50 | 13715.00 | 10783.17 | 13090.00 | |
| 5^-Deoxyadenosine | 379512.50 | 287225.00 | 393500.00 | 347600.00 | |
| 5-HPETE | 158037.50 | 188100.00 | 102763.33 | 157500.00 | |
| 5-Hydroxy-2-imino-1-methylimidazolidin-4-one | 101063.75 | 85587.50 | 84450.00 | 95686.67 | |
| 5-Hydroxy-3,3^,4^,7,8-pentamethoxyflavone | 2574750.00 | 2973750.00 | 1609000.00 | 2297333.33 | |
| 5-Hydroxycapsanthin-5,6-epoxide | 3004875.00 | 3031250.00 | 2900333.33 | 2946333.33 | |
| 5-Hydroxyoct-2-enedioylcarnitine | 860737.50 | 593675.00 | 401866.67 | 659000.00 | |
| 5-KETE | 855200.00 | 614450.00 | 156381.67 | 563533.33 | |
| 5-Megastigmen-7-yne-3,9-diol 3-glucoside | 20928.75 | 18677.00 | 9460.50 | 17566.67 | |
| 5-Methyl-2-furaldehyde | 49002.50 | 48065.00 | 47060.00 | 49406.67 | |
| 5^-Phosphoribosyl-N-formylglycinamide | 23121.25 | 18710.00 | 28836.67 | 23286.67 | |
| 5(S)-Hydroperoxyeicosatetraenoic acid | 152248.88 | 18647.50 | 7307.00 | 79383.33 | |
| (5xi,9xi,13xi,18xi,19beta)-3-Oxolup-20(29)-en-28-oic Acid | 1146850.00 | 787275.00 | 1442833.33 | 1147666.67 | |
| 6,9,12,15,18,21-Tetracosahexaenoic acid | 101651.25 | 17137.50 | 450733.33 | 172933.33 | |
| 6-Dehydrotestosterone glucuronide | 38938.50 | 118825.00 | - | 29896.67 | |
| 6-Deoxocastasterone | 513325.00 | 549500.00 | 460266.67 | 548033.33 | |
| 6-deoxoteasterone | 305378.75 | 37450.00 | 1508333.33 | 592700.00 | |
| 6-Methyl-5,6-dihydro-4H-1,3-thiazin-2-amine | 9482.00 | 7012.25 | 11580.00 | 9217.67 | |
| 7-Acetylintermedine | 27082.50 | - | - | 5757.67 | |
| 7a-Hydroxyandrost-4-ene-3,17-dione | 265287.50 | 221225.00 | 104241.67 | 218733.33 | |
| 7alpha,17beta-Dihydroxyandrost-4-en-3-one | 1226387.50 | 1039250.00 | 909650.00 | 1122333.33 | |
| (+/-)7-epi Jasmonic Acid | 65072.50 | 64932.50 | 80775.00 | 72333.33 | |
| (7-methoxy-1-benzofuran-2-yl)-[4-(2-pyrazol-1-ylethyl)pipera... | 222887.50 | 157050.00 | 1448333.33 | 564233.33 | |
| 8-Amino-7-oxononanoic acid | 51465.00 | 66610.00 | 39296.67 | 53450.00 | |
| 8-Hydroxyquinoline | 19803.75 | 20505.00 | 30011.67 | 19846.67 | |
| 9,10-Epoxystearic acid | 120983.75 | 79902.50 | 193883.33 | 135566.67 | |
| 9,12,13-TriHOME | 992625.00 | 1122000.00 | 1042166.67 | 1026666.67 | |
| 9,19-Cyclolanost-25-ene-3,24-diol | 4643125.00 | 2628750.00 | 11173333.33 | 6108000.00 | |
| 9H-Purine-9-ol | 117546.25 | 99492.50 | 145316.67 | 131366.67 | |
| 9-Hydroxylinoleic acid | 279325.00 | 278800.00 | 338183.33 | 299133.33 | |
| 9(S)-HODE | 1857250.00 | 1679500.00 | 2281166.67 | 1927000.00 | |
| 9(S)-HPODE | 2076250.00 | 1704250.00 | 2349166.67 | 2084333.33 | |
| 9-Tetradecenoic acid | 107967.50 | 60312.50 | 294950.00 | 142000.00 | |
| Acetolein | 1897750.00 | 1337500.00 | 1346666.67 | 1656333.33 | |
| Acetylisoniazid | 27469.88 | 76740.00 | 5714.67 | 24976.67 | |
| Actein | 807350.00 | 1353500.00 | 1392166.67 | 1412666.67 | |
| Adenine | 610237.50 | 512625.00 | 746050.00 | 623433.33 | |
| Adenosine | 669537.50 | 557175.00 | 713233.33 | 634500.00 | |
| Ala-Leu | 36210.00 | 33645.00 | 37645.00 | 38326.67 | |
| Alisol A | 714125.00 | 221000.00 | 1329000.00 | 760966.67 | |
| Alisol B | 5034625.00 | 6762000.00 | 5493333.33 | 5829666.67 | |
| All-trans-13,14-dihydroretinol | 169925.00 | 265100.00 | 146733.33 | 173833.33 | |
| Alpha-Bisabolol oxide B | 184200.00 | 161900.00 | 217466.67 | 188866.67 | |
| Alpha-curcumene | 338450.00 | 319050.00 | 376600.00 | 341633.33 | |
| Alpha-Cyperol | 129775.00 | 134225.00 | 162950.00 | 137533.33 | |
| Alpha-Elemolic acid | 6478.00 | - | 66751.67 | 10560.00 | |
| Alpha,gamma-Onoceradienedione | 810912.50 | 747825.00 | 1051650.00 | 929000.00 | |
| Alpha-Ionone | 105147.50 | 132775.00 | 124200.00 | 121500.00 | |
| Alpha-Irone | 224700.00 | 103782.50 | 579233.33 | 312933.33 | |
| Alpha-Muricholic Acid | 137812.50 | 32290.00 | 428466.67 | 194800.00 | |
| Alpha-Terpineol acetate | 190112.50 | 249425.00 | 194666.67 | 200133.33 | |
| Alpha-Terpineol propanoate | 374962.50 | 221600.00 | 516600.00 | 503466.67 | |
| Aminocaproic acid | 410450.00 | 279925.00 | 270066.67 | 340900.00 | |
| Andrographolide | 90551.25 | 21063.00 | 4154.00 | 47536.67 | |
| ANETHOLE | 21172.88 | 8294.00 | 33051.67 | 23323.33 | |
| Annonacin | 39377.50 | 42710.00 | 20740.00 | 63256.67 | |
| Arctiol | 1636250.00 | 2119000.00 | 2098666.67 | 1894333.33 | |
| Arkofix | 211862.50 | 227625.00 | 189666.67 | 202933.33 | |
| Ascorbyl stearate | 661312.50 | 370850.00 | 23418.83 | 414600.00 | |
| Bafilomycin A1(Baf-A1) | 108746.67 | - | 751050.00 | 244266.67 | |
| Barringtogenol C | 38068.71 | 3814.00 | 120000.00 | 49713.33 | |
| Behenic acid | 594925.00 | 548325.00 | 763983.33 | 1031333.33 | |
| Benzeneacetonitrile | 297350.00 | 275525.00 | 327416.67 | 306600.00 | |
| Beta-Cortol | 343762.50 | 284375.00 | 386566.67 | 348700.00 | |
| Beta-D-ribosylnicotinate | 19549.50 | 7000.75 | 50500.00 | 20196.67 | |
| Betaine | 924162.50 | 786600.00 | 695500.00 | 797966.67 | |
| Beta-Thujaplicin | 8957.38 | 2108.50 | 28760.00 | 11746.67 | |
| Betulin | 1572700.00 | 755925.00 | 4951000.00 | 2342000.00 | |
| Betulinic acid | 10981.00 | - | 178000.00 | 41433.33 | |
| Biuret | 9984.75 | 16077.50 | 9897.50 | 10973.33 | |
| Brassidic acid | 205975.00 | 212875.00 | 280600.00 | 267633.33 | |
| Butylisopropylamine | 47873750.00 | 47110000.00 | 44133333.33 | 47230000.00 | |
| Butyrylcarnitine | 51410.00 | 42765.00 | 16503.33 | 39936.67 | |
| C2 PHYTOCERAMIDE | 308212.50 | 219575.00 | 404216.67 | 324800.00 | |
| Cafestol | 144300.00 | 136550.00 | 141033.33 | 148200.00 | |
| Cajanol | 288612.50 | 304250.00 | 6133.17 | 198766.67 | |
| Camelliagenin C | 3086875.00 | 2446000.00 | 3829333.33 | 3172000.00 | |
| Caprylic acid | 111850.00 | 119350.00 | 120766.67 | 121866.67 | |
| Capsidiol | 331912.50 | 309575.00 | 465216.67 | 360566.67 | |
| Carbamothioic acid, diethyl- | 23476.25 | 49310.00 | 9546.17 | 27770.00 | |
| Carotol | 22592.50 | 20062.50 | 13551.67 | 20846.67 | |
| Carteolol | 30880.00 | 29690.00 | 11188.50 | 22236.67 | |
| Carvone | 140508.75 | 93302.50 | 93725.00 | 111066.67 | |
| Cerulenin | 112012.50 | 102542.50 | 40898.33 | 91270.00 | |
| Cetyl recinoleate | 818587.50 | 978950.00 | 703116.67 | 537366.67 | |
| Chavicol | 602787.50 | 754275.00 | 697016.67 | 706233.33 | |
| CHEBI:69439 | 83062.50 | 102220.00 | 53213.33 | 84026.67 | |
| Chenodeoxycholylserine | 1327750.00 | 1456250.00 | 2156333.33 | 1665666.67 | |
| Chlorobenzene | 14871250.00 | 15202500.00 | 12953333.33 | 14253333.33 | |
| Cholylsarcosine | 1145250.00 | 1133500.00 | 2312500.00 | 1545666.67 | |
| Cidofovir | 164812.50 | 155775.00 | 137516.67 | 144200.00 | |
| Cinnamaldehyde | 38118.75 | 44407.50 | 35425.00 | 39926.67 | |
| Cinnamyl acetate | 10054.62 | 4694.50 | 15693.33 | 10526.67 | |
| Cinncassiol C2 | 478137.50 | 368250.00 | 153616.67 | 381766.67 | |
| Cis-Dihydrocarvone | 23170.00 | 16555.00 | 46010.00 | 30803.33 | |
| Cis-Quinceoxepane | 137250.00 | 157825.00 | 173816.67 | 159966.67 | |
| Citreoviridinol A1 | 31508.12 | 5914.00 | 42486.67 | 33946.67 | |
| Clausarinol | 55138750.00 | 68780000.00 | 60945000.00 | 63156666.67 | |
| Clavulanate | 32621.25 | 29677.50 | 24345.00 | 30096.67 | |
| Cnidilide | 101273.75 | 84452.50 | 101693.33 | 89803.33 | |
| Cnp-maltotrioside | 112588.75 | 102767.50 | 94031.67 | 97040.00 | |
| Coniferaldehyde | 82576.25 | 210225.00 | 20563.33 | 93890.00 | |
| Coniferyl alcohol | 25322.25 | 47920.00 | - | 22356.67 | |
| Cortisone acetate | 200155.00 | 82245.00 | 376433.33 | 203900.00 | |
| Coumarin | 72392.50 | 125375.00 | 5238.17 | 64966.67 | |
| Crotetamide | 73247.50 | 62935.00 | 47768.33 | 63100.00 | |
| Cucurbic acid | 110562.50 | 96620.00 | 95425.00 | 87326.67 | |
| Cuminaldehyde | 11458.54 | 1596.65 | 8629.17 | 7961.67 | |
| Curdione | 217137.50 | 241250.00 | 106060.00 | 199733.33 | |
| Cycloart-23-ene-3beta,25-Diol | 1506750.00 | 1069275.00 | 5064166.67 | 2282333.33 | |
| Cyclohexane | 376225000.00 | 374125000.00 | 347783333.33 | 371166666.67 | |
| Cyclo(his-pro) | 3244.57 | 947.85 | 50636.67 | 12573.33 | |
| Cyclo(L-Phe-L-Pro) | 76310.00 | 80067.50 | 59328.33 | 75413.33 | |
| Cyclooctyne | 122466.25 | 66662.50 | 331183.33 | 178533.33 | |
| Cyclopentanol | 1118625.00 | 1145000.00 | 1396833.33 | 1185333.33 | |
| Cyperolone | 437275.00 | 132725.00 | 964116.67 | 540566.67 | |
| Cysteinylhydroxyproline | 57997.50 | 64107.50 | 14598.33 | 48093.33 | |
| Cytidine | 44502.50 | 34185.00 | 82043.33 | 47930.00 | |
| Cytosine | 251050.00 | 194575.00 | 289100.00 | 241900.00 | |
| D6-Ambrettolide | 563800.00 | 247475.00 | 1380500.00 | 779266.67 | |
| Dalfopristin | 317625.00 | 172050.00 | 519350.00 | 383166.67 | |
| Daucol | 362400.00 | 491675.00 | 506033.33 | 485466.67 | |
| Daunosamine | 37926.25 | 36782.50 | 35556.67 | 37373.33 | |
| D-(+)-dihydrocarvone | 46005.00 | 61205.00 | 67391.67 | 57896.67 | |
| Decyl alcohol | 2582.25 | - | 44198.33 | 9916.33 | |
| Dehydrocurdione | 274237.50 | 284775.00 | 206233.33 | 255600.00 | |
| Dehydrophytosphingosine | 89010.00 | 70055.00 | 349900.00 | 153900.00 | |
| Dehydrovomifoliol | 11278.38 | 6488.00 | 36815.00 | 18166.67 | |
| (+)-Dehydrovomifoliol | 5908.43 | 2016.03 | 31055.00 | 12373.33 | |
| Delta-CEHC | 807350.00 | 451300.00 | 864183.33 | 742333.33 | |
| Deoxyadenosine | 1309625.00 | 1091250.00 | 1117166.67 | 1240000.00 | |
| Deoxycholylarginine | 25203750.00 | 25755000.00 | 23305000.00 | 25603333.33 | |
| Deoxycytidine | 23205.00 | 18925.00 | 19540.00 | 22566.67 | |
| Desmethylmisonidazole | 48432.50 | 56105.00 | 34468.33 | 47986.67 | |
| Desogestrel | 80366.25 | 156200.00 | 4989.00 | 50266.67 | |
| DG(16:1(9Z)/14:1(9Z)/0:0) | 23487500.00 | 23635000.00 | 21226666.67 | 23650000.00 | |
| DG(8:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0) | 135853.75 | 39120.00 | 39326.67 | 82206.67 | |
| DG(8:0/a-17:0/0:0) | 19033.33 | - | 165666.67 | 44356.67 | |
| D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose | 1269750.00 | 1148000.00 | 1516333.33 | 1254666.67 | |
| DG(i-14:0/PGJ2/0:0) | 1140600.00 | 879250.00 | 242416.67 | 906266.67 | |
| Dibutylamine | 2247500.00 | 3092500.00 | 1752666.67 | 2334333.33 | |
| Diethanolamine | 232112.50 | 200825.00 | 125300.00 | 208833.33 | |
| Diethyltoluamide | 900137.50 | 300700.00 | 1391333.33 | 902433.33 | |
| Dihydroceramide | 100142.50 | 82987.50 | 145333.33 | 111433.33 | |
| Dihydroceramide C2 | 110740.00 | 82022.50 | 168333.33 | 119300.00 | |
| Dihydroconiferyl alcohol | 123962.50 | 101537.50 | 95828.33 | 113900.00 | |
| Dihydrojasmonic acid | 165675.00 | 187650.00 | 177300.00 | 183900.00 | |
| Dihydrotachysterol | 419912.50 | 134075.00 | 861350.00 | 488866.67 | |
| Dihydrouracil | 44172.50 | 43647.50 | 43308.33 | 44926.67 | |
| Dihydrozeatin | 1328.58 | - | 31730.00 | 9315.33 | |
| Dillanol | 72708.75 | 201275.00 | 196100.00 | 130600.00 | |
| Dimethyl Sulfoxide | 10534.00 | 12370.00 | 9402.50 | 10335.00 | |
| DL-4-Hydroxyphenyllactic Acid | 619.53 | 554.15 | 13306.67 | 3248.00 | |
| DL-p-Chlorophenylalanine methyl ester hydrochloride | 217050.00 | 254450.00 | 192766.67 | 227066.67 | |
| Dmap-ethyl-paf | 3768750.00 | 2873000.00 | 3206333.33 | 3572666.67 | |
| Dodecanol | 381887.50 | 472225.00 | 438733.33 | 443300.00 | |
| Dopamine | 152387.50 | 152175.00 | 146433.33 | 156266.67 | |
| Doxazosin | 42477.25 | 94860.00 | - | 47150.00 | |
| (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one | 160637.50 | 208125.00 | 214100.00 | 174733.33 | |
| Ecklonialactone A | 74135.00 | 70667.50 | 71965.00 | 75790.00 | |
| Eicosapentaenoic acid | 859162.50 | 502150.00 | 1753333.33 | 1109000.00 | |
| Enalaprilat | 41396.25 | 37660.00 | 8211.67 | 29816.67 | |
| Epigoitrin | 11461.50 | 7936.25 | 19070.00 | 14136.67 | |
| Epinepetalactone | 32111.25 | 14215.00 | 24173.33 | 26426.67 | |
| Epothilone D | 313238.75 | 1003525.00 | 55028.33 | 376200.00 | |
| Epoxyeremopetasinorol | 7318.88 | 2511.75 | 20435.00 | 10926.67 | |
| Epsilon-Caprolactam | 102738.75 | 109550.00 | 94878.33 | 103100.00 | |
| Epsilon-(Carboxymethyl)lysine | 18087.50 | 14567.50 | 10696.17 | 14996.67 | |
| Eremopetasidione | 17332.88 | 7944.25 | 131550.00 | 39930.00 | |
| Eremopetasinorol | 4709.00 | 3079.25 | 52118.33 | 16760.00 | |
| Estradiol-17alpha 3-D-glucuronoside | 811600.00 | 986000.00 | 15383.00 | 640533.33 | |
| Etaspirene | 77527.50 | 28195.00 | 289066.67 | 130833.33 | |
| Ethyl 3-hydroxydodecanoate | 67008.75 | 77912.50 | 63465.00 | 73110.00 | |
| Ethyl hydrogen fumarate | 5619750.00 | 5708750.00 | 5182000.00 | 5616666.67 | |
| Etiracetam | 46138.75 | 40350.00 | 36263.33 | 43030.00 | |
| Eugenol | 15611.88 | 10283.75 | 37120.00 | 21386.67 | |
| Euscaphic acid | 2584000.00 | 2325500.00 | 3235666.67 | 2800333.33 | |
| Fagomine | 46348.75 | 47425.00 | 44503.33 | 42636.67 | |
| FAHFA(16:0/10-O-18:0) | 682387.50 | 746150.00 | 651283.33 | 448966.67 | |
| Farnesyl acetone | 150662.50 | 139575.00 | 174033.33 | 154166.67 | |
| Fasciculic Acid B | 75386.67 | - | 472516.67 | 149300.00 | |
| Fasciculol C | 78384.88 | 17432.50 | 112333.33 | 74863.33 | |
| Fasoracetam | 464487.50 | 364275.00 | 289450.00 | 411933.33 | |
| Fluocinolone | 13948.88 | 3810.00 | 170366.67 | 46320.00 | |
| Furfural | 72990.00 | 38852.50 | 177100.00 | 102366.67 | |
| Galactopinitol A | 45660.00 | 51407.50 | 54801.67 | 47653.33 | |
| Gamma-Glu-leu | 62187.50 | 58797.50 | 13230.00 | 50656.67 | |
| Ganodermic acid TQ | 1824875.00 | 1508000.00 | 607483.33 | 1475666.67 | |
| Geranylcitronellol | 6713000.00 | 8342750.00 | 9530833.33 | 7980666.67 | |
| Germacrene D | 1047.00 | - | 59860.00 | 14993.33 | |
| Germacrone | 446625.00 | 367775.00 | 488766.67 | 433866.67 | |
| Gibberellin A19 | 94415.00 | 80717.50 | 57793.33 | 83966.67 | |
| Gibberellin A8-catabolite | 252975.00 | 99235.00 | 351350.00 | 244566.67 | |
| Ginsenoside C-K | 11394750.00 | 6850000.00 | 24595000.00 | 14673333.33 | |
| Ginsenoside Re | 798750.00 | 387375.00 | 1449333.33 | 1186000.00 | |
| Ginsenoside Rg1 | 720050.00 | 186100.00 | 1724000.00 | 1158666.67 | |
| Ginsenoside Rg3 | 2627150.00 | 911450.00 | 10162666.67 | 4380000.00 | |
| Ginsenoside Rg5 | 2549350.00 | 870650.00 | 7297333.33 | 3804666.67 | |
| Ginsenoside Rh3 | 1352825.00 | 549850.00 | 3947666.67 | 1985666.67 | |
| Ginsenoside Rh7 | 204572.50 | 8348.00 | 1701666.67 | 603566.67 | |
| Ginsenoside Rk1 | 72903.33 | 22660.00 | 928616.67 | 188633.33 | |
| Glabric acid | 625287.50 | 389575.00 | 117821.67 | 477666.67 | |
| Gliocladic Acid | 101822.50 | 50645.00 | 280566.67 | 151400.00 | |
| Glucomannan | 90729.57 | 27095.00 | 382866.67 | 171566.67 | |
| Gluconolactone | 38848.75 | 45885.00 | 72158.33 | 49396.67 | |
| Glycylleucine | 25933.75 | 23812.50 | 19648.33 | 25126.67 | |
| Glycyl-leucine | 9962.75 | 7766.25 | 29715.00 | 15056.67 | |
| Glycyrrhetinic acid | 440225.00 | 144550.00 | 871450.00 | 548866.67 | |
| Gonal | 494875.00 | 666125.00 | 678983.33 | 604900.00 | |
| Guanine | 505662.50 | 396075.00 | 508216.67 | 497200.00 | |
| Guanosine | 135775.00 | 129825.00 | 135033.33 | 138533.33 | |
| Hebevinoside IV | 90682.50 | 23472.50 | 704316.67 | 174133.33 | |
| Helinorbisabone | 200178.75 | 91185.00 | 265633.33 | 195266.67 | |
| Hexadeca-7,10,13-trienoic acid | 89181.25 | 55482.50 | 185350.00 | 111133.33 | |
| Hexenal | 391850.00 | 389475.00 | 361733.33 | 380266.67 | |
| Histidylglutamine | 136025.00 | 110000.00 | 117416.67 | 129366.67 | |
| Histidylleucine | 154600.00 | 158650.00 | - | 58903.33 | |
| Homodihydrojasmone | 98543.75 | 123925.00 | 140150.00 | 117666.67 | |
| Hovenine A | 270318.50 | 944275.00 | 22203.33 | 265400.00 | |
| Hypoxanthine | 201925.00 | 182500.00 | 364566.67 | 237733.33 | |
| Ibuprofen | 11510.00 | 6714.75 | 66048.33 | 30653.33 | |
| Icofungipen | 68868.75 | 62820.00 | 58028.33 | 64133.33 | |
| Ifosfamide | 4439625.00 | 5323250.00 | 3380000.00 | 4530333.33 | |
| Ile Ala | 112212.50 | 104877.50 | 55045.00 | 98330.00 | |
| Ile Ile | 275587.50 | 253125.00 | 140966.67 | 247566.67 | |
| Ile Leu | 259000.00 | 234850.00 | 134166.67 | 237366.67 | |
| Ile Phe | 173162.50 | 166600.00 | 64435.00 | 149033.33 | |
| Ile Ser | 27632.50 | 19750.00 | 28808.33 | 27713.33 | |
| Ile Val | 430750.00 | 379600.00 | 245983.33 | 389700.00 | |
| Imidazolone A | 82648.75 | 77705.00 | 70720.00 | 79490.00 | |
| Indole | 1088875.00 | 1111750.00 | 954250.00 | 1028666.67 | |
| Indole-3-Carboxaldehyde | 1186250.00 | 1185250.00 | 1073166.67 | 1195000.00 | |
| Indoleacrylic acid | 132413.75 | 100057.50 | 344816.67 | 184600.00 | |
| Isocolumbin | 65265.00 | 135300.00 | 20465.00 | 62793.33 | |
| Isocyperol | 2687875.00 | 1225500.00 | 7069166.67 | 3709333.33 | |
| Isoketocamphoric acid | 69275.00 | 71380.00 | 70606.67 | 713100.00 | |
| Isokobusone | 14237.25 | 3755.50 | 48306.67 | 23893.33 | |
| Isoleucylproline | 289750.00 | 326200.00 | 169083.33 | 270266.67 | |
| Isolubimin | 737537.50 | 702625.00 | 339500.00 | 707633.33 | |
| Isopentyl beta-D-glucoside | 345025.00 | 294600.00 | 232100.00 | 303833.33 | |
| Isophorone | 76398.75 | 70160.00 | 66070.00 | 60840.00 | |
| Jacarandic acid | 129097.50 | 56342.50 | 184183.33 | 126500.00 | |
| Jasmolone | 75730.00 | 76385.00 | 74746.67 | 74476.67 | |
| Kanzonol O | 210762.50 | 243100.00 | - | 105866.67 | |
| KAPA | 221550.00 | 206000.00 | 139333.33 | 200833.33 | |
| Kievitone | 101091.25 | 230150.00 | 6215.83 | 102836.67 | |
| Kioukasin A | - | 189600.00 | 186600.00 | 4355333.33 | |
| Lactitol | 49841.25 | 14775.00 | 188283.33 | 84390.00 | |
| Lactose | 919350.00 | 916100.00 | 870950.00 | 874466.67 | |
| L-Alanine | 142712.50 | 146500.00 | 151166.67 | 145366.67 | |
| Lappaol C | 52625.00 | 122350.00 | - | 48966.67 | |
| L-Asparagine | 12833.75 | 10976.25 | 17960.00 | 12956.67 | |
| Lauryldiethanolamine | 8895750.00 | 9460750.00 | 11006666.67 | 9854666.67 | |
| L-Carnitine | 78051.25 | 63275.00 | 58583.33 | 67680.00 | |
| Leucylleucine | 765612.50 | 675875.00 | 408050.00 | 681700.00 | |
| Leucylproline | 224437.50 | 259900.00 | 110208.33 | 208633.33 | |
| L-Glutamine | 66742.50 | 63575.00 | 56508.33 | 68103.33 | |
| Ligustroside | 131962.50 | 155350.00 | 65616.67 | 113400.00 | |
| Linalyl propionate | 17401.25 | 16877.50 | 14068.33 | 19006.67 | |
| Lithocholic acid | 63178.62 | 6485.75 | 308133.33 | 123500.00 | |
| Longicamphenylone | 120402.50 | 84152.50 | 282333.33 | 171566.67 | |
| Lotaustralin | 14675.00 | 9903.25 | 32683.33 | 17926.67 | |
| L-Serine | 17706.25 | 18787.50 | 24510.00 | 18856.67 | |
| L-Threonine | 30081.25 | 18887.50 | 48076.67 | 29790.00 | |
| L-Tryptophan | 943225.00 | 876700.00 | 942366.67 | 950600.00 | |
| LysoPA(a-21:0/0:0) | 84572.88 | 13876.67 | 263200.00 | 106766.67 | |
| LysoSM(d18:1) | 196798.75 | 104585.00 | 1078533.33 | 326533.33 | |
| Majoroside F1 | 19058.17 | - | 374300.00 | 90150.00 | |
| Maltol | 1335625.00 | 1344500.00 | 1205166.67 | 1325333.33 | |
| Maniladiol | 17359500.00 | 8485250.00 | 42408333.33 | 24436666.67 | |
| Manoalide | 605725.00 | 643325.00 | 627516.67 | 614000.00 | |
| Manoyl oxide | 49188.75 | 70472.50 | 83555.00 | 56366.67 | |
| Marrubiin | 1940375.00 | 1457500.00 | 882666.67 | 1536666.67 | |
| Matricin | 3037.25 | 1245.00 | 37526.67 | 13280.00 | |
| Melledonal A | 189200.00 | 87507.50 | - | 65690.00 | |
| Metabolite B | 215900.00 | 69142.50 | 1396500.00 | 448233.33 | |
| Methylguanidine | 7086.00 | 8543.25 | 4334.33 | 6501.67 | |
| Methyl Jasmonate | 8982.88 | 6665.75 | 33783.33 | 18446.67 | |
| Mexiletine | 22832.50 | 13997.50 | 48573.33 | 30673.33 | |
| MG(0:0/18:1(12Z)-O(9S,10R)/0:0) | 643700.00 | 595550.00 | 763583.33 | 639833.33 | |
| MG(i-24:0/0:0/0:0) | 82567.50 | 41190.00 | 267383.33 | 99386.67 | |
| Milbemycin beta2 | 316850.00 | 322775.00 | - | 99273.33 | |
| MJDBISSP00000001 | 55620000.00 | 56507500.00 | 47066666.67 | 53013333.33 | |
| MJDBISSP00000002 | 522825.00 | 488950.00 | 353616.67 | 485400.00 | |
| MJDBISSP00000009 | 4810625.00 | 4594750.00 | 4124000.00 | 5128333.33 | |
| Mogrol | 55781.12 | 11044.75 | 1101000.00 | 278000.00 | |
| Momorcharaside A | 36353.33 | - | 565133.33 | 149166.67 | |
| Momorcharaside B | 4392.50 | - | 105251.67 | 12350.00 | |
| Momordicoside C | 299266.67 | 6565.33 | 1778666.67 | 611466.67 | |
| Momordicoside D | 926837.50 | 300125.00 | 3748000.00 | 1669333.33 | |
| Murrayenol | 711125.00 | 301875.00 | 1243833.33 | 812600.00 | |
| M-Xylene | 152100.00 | 143825.00 | 201533.33 | 172766.67 | |
| Mycorradicin | 45926.25 | 17880.00 | 61850.00 | 42923.33 | |
| Myotoxin A | 344700.00 | 445850.00 | - | 205166.67 | |
| Myristic acid | 441287.50 | 475150.00 | 465833.33 | 515333.33 | |
| Myristoleic acid | 236737.50 | 203000.00 | 591533.33 | 358700.00 | |
| N-(1-Hydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide | 7457.67 | - | 84540.00 | 19103.33 | |
| N2-Acetyl-L-ornithine | 13482.50 | 10885.00 | 11216.67 | 11150.00 | |
| N-Acetyl-D-galactosamine | 16615.00 | 16352.50 | 25365.00 | 19823.33 | |
| N-Acetyl-D-mannosamine | 134012.50 | 133000.00 | 114483.33 | 128000.00 | |
| N-Docosahexaenoyl Asparagine | 72200.00 | 42697.50 | 6231.50 | 47193.33 | |
| Neoliquiritin 2^^-apioside | 329962.50 | 391850.00 | 235000.00 | 327866.67 | |
| N-Epsilon-Acetyl-L-Lysine | 28456.25 | 22007.50 | 22888.33 | 23190.00 | |
| Niacinamide | 8601.38 | 9098.50 | 10598.33 | 8496.33 | |
| NILOTICIN | 1450087.50 | 918600.00 | 2746166.67 | 1749666.67 | |
| N-Methyl-1-deoxynojirimycin | 49968.75 | 42510.00 | 34055.00 | 62203.33 | |
| N-Methyl-2-pyrrolidinone | 418500.00 | 402675.00 | 539000.00 | 458000.00 | |
| N-Methyl-D-Aspartic Acid | 13473.88 | 5573.75 | 52373.33 | 20043.33 | |
| N,n-Bis(2-hydroxyethyl)dodecanamide | 105943.75 | 30297.50 | 241466.67 | 108133.33 | |
| N,N-Dimethyldodecylamine-N-oxide | 379425.00 | 392250.00 | 447966.67 | 428200.00 | |
| N,N-Dimethylsphingosine | 38575.00 | 51982.50 | 7650.00 | 34960.00 | |
| N^-nitrosonornicotine | 178025.00 | 148050.00 | 127433.33 | 163866.67 | |
| Norleucine | 7325000.00 | 6626250.00 | 5792666.67 | 7002666.67 | |
| Norrubrofusarin 6-beta-gentiobioside | 496250.00 | 633775.00 | 393683.33 | 464666.67 | |
| Norvaline | 995150.00 | 805575.00 | 728050.00 | 886266.67 | |
| Notoginsenoside K | 2434750.00 | 1220000.00 | 4261000.00 | 3148333.33 | |
| Notoginsenoside R9 | 19030.00 | 9006.00 | 141666.67 | 23860.00 | |
| N-Palmitoyl Cysteine | 8694.00 | 1721.50 | 69505.00 | 22530.00 | |
| N-Stearoyl Valine | 165725.00 | 165450.00 | 186333.33 | 174933.33 | |
| Nuatigenin | 823862.50 | 818175.00 | 848216.67 | 883133.33 | |
| N-Undecanoylglycine | 73603.75 | 40240.00 | 154283.33 | 121800.00 | |
| NX2 Toxin | 1492.00 | 1478.50 | 58935.00 | 12960.00 | |
| Octadecanamide | 2450750.00 | 3001750.00 | 1634166.67 | 2500000.00 | |
| Octylamine | 47831250.00 | 47435000.00 | 44065000.00 | 47243333.33 | |
| Oleamide | 92833750.00 | 113375000.00 | 116216666.67 | 102100000.00 | |
| Oleanolic Acid | 8221875.00 | 5149000.00 | 11681666.67 | 8585000.00 | |
| Oleanolic aldehyde | 1203350.00 | 478075.00 | 3823666.67 | 1976000.00 | |
| Oleic acid | 85047.50 | 33442.50 | 329233.33 | 124766.67 | |
| Olpadronic acid | 151462.50 | 150775.00 | 136400.00 | 156400.00 | |
| Orcinol | 25978.29 | 596.83 | 843.80 | 12090.00 | |
| Ornidazole | 15298.75 | 15385.00 | 17636.67 | 16540.00 | |
| O-Toluidine | 358775.00 | 363975.00 | 360066.67 | 359333.33 | |
| Oxymetholone | 215562.50 | 220375.00 | 177500.00 | 234466.67 | |
| PA(20:3(8Z,11Z,14Z)/15:0) | 449512.50 | 859225.00 | 849200.00 | 655033.33 | |
| PA(a-15:0/PGF1alpha) | 1207500.00 | 1193000.00 | 1080000.00 | 1186000.00 | |
| Palitantin, (+)- | 185362.50 | 120275.00 | 442616.67 | 247033.33 | |
| Palmitic amide | 8609500.00 | 10435000.00 | 9352666.67 | 9181000.00 | |
| Pantothenic Acid | 484075.00 | 346800.00 | 594566.67 | 504266.67 | |
| Parasorbic acid | 20236.00 | 7618.75 | 49926.67 | 27623.33 | |
| PA(TXB2/20:3(8Z,11Z,14Z)) | 2813250.00 | 1690250.00 | 7217500.00 | 3658000.00 | |
| P-Benzosemiquinone | 5203.25 | 2884.25 | 38110.00 | 14873.33 | |
| P-CHLOROPHENYLALANINE | 55621250.00 | 56915000.00 | 47695000.00 | 53170000.00 | |
| P-Coumaric Acid | 958375.00 | 884500.00 | 537766.67 | 836833.33 | |
| P-Cymene | 94810.00 | 90515.00 | 87201.67 | 88290.00 | |
| Pentaethylene glycol | 247600.00 | 210050.00 | 176066.67 | 219300.00 | |
| Pentamethylchromanol | 6949.25 | 3820.75 | 15480.00 | 9183.33 | |
| PG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)) | 974162.50 | 960050.00 | 934900.00 | 1002866.67 | |
| Phe Gly | 36033.75 | 31915.00 | 17081.67 | 31953.33 | |
| Phe Ile | 198425.00 | 177950.00 | 64188.33 | 152766.67 | |
| Phenylacetic acid | 108375.00 | 101397.50 | 63066.67 | 92963.33 | |
| Phenylacetylglycine | 18447.50 | 11917.50 | 2953.17 | 12136.67 | |
| Phe Val | 63340.00 | 54590.00 | 19960.00 | 47986.67 | |
| Pinolidoxin | 72097.50 | 111100.00 | 19811.67 | 57090.00 | |
| Piperidine | 682500.00 | 679750.00 | 627416.67 | 682033.33 | |
| Polidocanol | 37220000.00 | 34952500.00 | 28573333.33 | 35196666.67 | |
| Polyethylene, oxidized | 23668.75 | 4837.25 | 4064.00 | 14663.33 | |
| Polyoxyethylene 40 monostearate | 143537.50 | 175925.00 | 227433.33 | 172300.00 | |
| Porphobilinogen | 60303.75 | 54472.50 | 20250.00 | 48320.00 | |
| Prenalterol | 36575.00 | 37400.00 | 566.50 | 12410.00 | |
| Proazulene | 23753.88 | 9395.50 | 533433.33 | 149133.33 | |
| Prostaglandin A2 | 206562.50 | 131300.00 | 17832.40 | 143400.00 | |
| Protopanaxatriol | 928337.50 | 459550.00 | 2276500.00 | 1180333.33 | |
| PS(18:1(9Z)/15:0) | 1576750.00 | 1866250.00 | 1506333.33 | 1659000.00 | |
| PS(22:2(13Z,16Z)/15:0) | 902575.00 | 1186000.00 | 52385.00 | 586600.00 | |
| Pseudouridine | 73056.25 | 59610.00 | 108000.00 | 71563.33 | |
| Psilostachyin | 607312.50 | 778450.00 | 717300.00 | 707633.33 | |
| Psoralen | 1428.95 | 1878.50 | 15111.67 | 4859.00 | |
| P-Tolualdehyde | 340900.00 | 378375.00 | 362716.67 | 362133.33 | |
| Pubesenolide | 565912.50 | 676000.00 | 840733.33 | 686833.33 | |
| Putrescine | 12847.38 | 14407.50 | 9765.83 | 12650.00 | |
| Pyridoxal | 23306.25 | 24287.50 | 24235.00 | 22536.67 | |
| Pyroglutamic Acid | 45272.50 | 38040.00 | 76681.67 | 51040.00 | |
| Pyrroline | 10807.88 | 12925.00 | 8830.83 | 10953.33 | |
| Quinquenoside F1 | 275793.75 | 109240.00 | 1260666.67 | 555900.00 | |
| (R)-3-Hydroxy-5-phenylpentanoic acid | 10621.75 | 4103.25 | 14511.67 | 9430.33 | |
| (R)-Apiumetin | 160676.25 | 43175.00 | 280433.33 | 151233.33 | |
| Resolvin E1 | 3506375.00 | 2673750.00 | 740016.67 | 2575333.33 | |
| Rimantadine | 21568.75 | 14360.00 | 14511.67 | 15536.67 | |
| Risbitin | 88510.00 | 68067.50 | 115650.00 | 92523.33 | |
| Rubschisandrin | 163550.00 | 180375.00 | 63800.00 | 122400.00 | |
| Ruscogenin | 29078.57 | 2513.33 | 62411.67 | 30380.00 | |
| S-(2-Carboxyethyl)-L-cysteine | 25132.50 | 22132.50 | 12903.33 | 23366.67 | |
| Sanchinoside B1 | 424650.00 | 121012.50 | 758683.33 | 535000.00 | |
| Schisandrin B | 1172025.00 | 1888000.00 | 13548.33 | 967666.67 | |
| Schisantherin B | 889312.50 | 1154250.00 | - | 719833.33 | |
| Schizandrin | 233375.00 | 486375.00 | 27975.00 | 192866.67 | |
| Sclareol oxide | 27716250.00 | 35815000.00 | 36353333.33 | 31986666.67 | |
| Secalciferol | 47603.50 | 13469.75 | 190100.00 | 97890.00 | |
| Shikimic acid | 44567.50 | 39722.50 | 54725.00 | 43940.00 | |
| Sinapic Acid | 8588.88 | 4236.00 | 27860.00 | 12966.67 | |
| (S)-Mandelic acid O-beta-D-Glucopyranoside | 2956.67 | 2275.00 | 31685.83 | 9506.67 | |
| Solutol HS 15 | 907300.00 | 588375.00 | 1421833.33 | 1261333.33 | |
| Sophoradiol | 1952575.00 | 1001575.00 | 5837833.33 | 2794333.33 | |
| Soyasapogenol B | 6547000.00 | 2815250.00 | 20173333.33 | 10563333.33 | |
| Soyasapogenol B 24-O-b-D-glucoside | 719950.00 | 154025.00 | 2844500.00 | 1217333.33 | |
| Soyasapogenol C | 2857000.00 | 1395250.00 | 7509500.00 | 3863333.33 | |
| Soyasapogenol E | 226166.67 | 2426.00 | 1436666.67 | 472800.00 | |
| Soyasapogenol F | 1068300.00 | 783675.00 | 2006166.67 | 1320000.00 | |
| (S)-(-)-Perillyl alcohol | 154087.50 | 121850.00 | 103486.67 | 140800.00 | |
| Spirolide E | 884712.50 | 845600.00 | 782383.33 | 912933.33 | |
| Spirotaccagenin | 1025162.50 | 451150.00 | 3378833.33 | 1577000.00 | |
| (S,S)-Butane-2,3-diol | 37568.75 | 35970.00 | 34485.00 | 38743.33 | |
| Stachyose | 308075.00 | 306475.00 | 352766.67 | 291600.00 | |
| Sterol | 339312.50 | 195825.00 | 69351.67 | 234066.67 | |
| Styrene | 574250.00 | 549650.00 | 699300.00 | 619300.00 | |
| Sucrose | 5200125.00 | 4740750.00 | 5651666.67 | 4911333.33 | |
| Swainsonine | 24771.25 | 23525.00 | 19791.67 | 24133.33 | |
| Tanacetol A | 214787.50 | 98870.00 | 54771.67 | 144266.67 | |
| Tebupirimfos | - | - | 15320.00 | 435533.33 | |
| Tetracosahexaenoic acid | 171193.50 | 6465.50 | 974550.00 | 367000.00 | |
| Tetracosahexaenoic acid, n-3 | 1898.33 | - | 28741.67 | 4531.00 | |
| Tetraethylene Glycol Monododecyl Ether | 1549500.00 | 1270750.00 | 1072000.00 | 1354666.67 | |
| Thr Phe | 31755.00 | 32842.50 | 11710.50 | 22453.33 | |
| Thymidine | 10232.00 | 8032.75 | 9748.67 | 7476.00 | |
| Trans-2-Hexenal | 48301.25 | 45355.00 | 43358.33 | 47413.33 | |
| Trans-4-Aminocyclohexanecarboxylic acid | 81531.25 | 76780.00 | 69768.33 | 77143.33 | |
| Trans-Cinnamic acid | 2804750.00 | 2452000.00 | 2554166.67 | 2692666.67 | |
| Trans-EKODE-(E)-Ib | 608000.00 | 618200.00 | 668850.00 | 629200.00 | |
| Trans-p-Menthane-1,7,8-triol 8-glucoside | 1458.00 | - | 62830.00 | 12316.67 | |
| Traumatic acid | 50995.00 | 42002.50 | 42786.67 | 42593.33 | |
| Traumatin | 12493.75 | 14627.50 | 14681.67 | 13816.67 | |
| Tridihexethyl | 137037.50 | 117007.50 | 26345.67 | 92583.33 | |
| Trigonelline | 52232.50 | 82510.00 | 58128.33 | 64236.67 | |
| Triisopropanolamine | 64130.00 | 66387.50 | 57703.33 | 63670.00 | |
| Trimethoprim | 4046375.00 | 4471250.00 | 3241000.00 | 3933000.00 | |
| Tsugaric acid A 21-glucosyl ester | 729837.50 | 199950.00 | 2538166.67 | 1116333.33 | |
| Tuliposide A | 21900.00 | 18580.00 | 43176.67 | 26800.00 | |
| Typhasterol | 306112.50 | 192350.00 | 48998.33 | 264633.33 | |
| Uracil | 212075.00 | 188275.00 | 253183.33 | 216766.67 | |
| Ursodeoxycholic acid | 157497.50 | 79447.50 | 309216.67 | 197433.33 | |
| Ursolic acid | 88220.00 | 2649.00 | 654016.67 | 202866.67 | |
| Val Ile | 484000.00 | 407200.00 | 262116.67 | 410166.67 | |
| Val Leu | 312025.00 | 274975.00 | 164183.33 | 269533.33 | |
| Val Val | 176750.00 | 139275.00 | 98271.67 | 148666.67 | |
| Vanilloylglycine | 2504.68 | 2373.00 | 10006.33 | 4331.67 | |
| Vanillylamine | 24733.75 | 26657.50 | 25986.67 | 26706.67 | |
| Vinylcyclohexene | 95741.25 | 40545.00 | 286000.00 | 139633.33 | |
| Vomifoliol | 14856.62 | 10327.25 | 68398.33 | 29623.33 | |
| Walleminone | 145662.50 | 147225.00 | 161283.33 | 149533.33 | |
| Xanthine | 74950.00 | 77142.50 | 123483.33 | 88373.33 | |
| Xenognosin A | 1310.00 | - | 35660.00 | 8215.33 | |
| XI-Dihydro-2-methyl-3(2H)-thiophenone | 12339.00 | 27547.50 | 5106.83 | 15140.00 | |
| Xyloketal | 101811.67 | - | 883316.67 | 234133.33 | |
| (+/-)-(Z)-2-(5-Tetradecenyl)cyclobutanone | 3258000.00 | 3988250.00 | 4094833.33 | 3562000.00 | |
| (Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one | 34236.25 | 26122.50 | 69130.00 | 42553.33 | |
| (Z)-4-Hydroxy-6-dodecenoic acid lactone | 434525.00 | 375525.00 | 592866.67 | 488233.33 | |
| (Z)-9-Cycloheptadecen-1-one | 103475.00 | 126700.00 | 138450.00 | 108333.33 | |
| Zearalanone | 244325.00 | 323425.00 | 256116.67 | 264166.67 | |
| (Z)-Farnesol | 110923.75 | 134275.00 | 145450.00 | 129566.67 |
Factors:
| F1 | endo-borneol concentration:0.1 mg/L | Sample source:soil |
| F2 | endo-borneol concentration:0 | Sample source:soil |
| F3 | endo-borneol concentration:100 mg/L | Sample source:soil |
| F4 | endo-borneol concentration:QC | Sample source:soil |
