Data for ST000291   

(Analysis AN000465): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3
10-Deacetyl-2-debenzoylbaccatin III
1076666.67 478980.00 845466.67
10-Oxodecanoate
2289733.33 1361733.33 676533.33
1,1-Diethyl-2-hydroxy-2-nitrosohydrazine_1
4221406.67 3845666.67 4858533.33
1,1-Diethyl-2-hydroxy-2-nitrosohydrazine_2
1503600.00 1799066.67 903466.67
1,2-Dihydroxynaphthalene-6-sulfonate
1081013.73 800.85 62460.00
12-trans-Hydroxy juvenile hormone III
567246.67 852801.33 414593.33
14-Dihydroxycornestin
1229046.67 2530046.67 312106.67
1-(5-Phosphoribosyl)imidazole-4-acetate
16350.00 9591.54 4105430.00
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione_1
1410960.00 869820.00 1926146.67
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione_2
1357.83 2718.62 2514.00
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
2726126.67 9317.90 343644.20
1-Caffeoyl-4-deoxyquinic acid_1
20021066.67 17198266.67 17280533.33
1-Caffeoyl-4-deoxyquinic acid_2
1824220.00 14610534.67 2215906.67
(1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylate
5734474.67 6753640.00 7048000.00
1-O-Galloyl-beta-D-glucose
533911.33 127231.20 82182.67
1-O-Sinapoyl-beta-D-glucose_1
1702866.67 2570433.33 4368600.00
1-O-Sinapoyl-beta-D-glucose_2
1081420.00 331126.67 388106.67
1-O-Vanilloyl-beta-D-glucose_1
2331466.67 1111573.33 3666113.33
1-O-Vanilloyl-beta-D-glucose_2
478848.00 1220666.67 872326.67
1-O-Vanilloyl-beta-D-glucose_3
1869666.67 635093.33 4417666.67
1-O-Vanilloyl-beta-D-glucose_4
893853.33 1088033.33 762540.00
(1-Ribosylimidazole)-4-acetate
4819866.67 3581800.00 4837066.67
2,2-Bis(4^-chlorophenyl)ethanol
3996026.67 3303033.33 1802935.71
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiaz...
5666133.33 1156234.67 3278566.00
2,3-Dihydrothienamycin
6152666.67 5358000.00 5575333.33
2,3-Dihydroxy-p-cumate_1
8455800.00 6710733.33 8167466.67
2,3-Dihydroxy-p-cumate_2
2522466.67 2718333.33 3374733.33
2-(3^-Methylthio)propylmalic acid
4678866.67 2837953.33 5196726.67
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1
19049733.33 41645333.33 12667933.33
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2
7948000.00 6395333.33 8896666.67
2,4-Dichlorotoluene
135220000.00 132533333.33 136120000.00
2,4-Dinitro-1-(3-nitrophenoxy)benzene
1213962.00 753200.67 3172142.86
2,4-Dinitrophenol
1404466.67 2474133.33 2059800.00
2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one_...
8778266.67 1814460.00 4808200.00
2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one_...
8280126.67 952780.00 1716866.67
2,5-Furandicarboxylate_1
2799666.67 7956533.33 5825733.33
2,5-Furandicarboxylate_2
6853000.00 15325200.00 12744400.00
2-(6^-Methylthio)hexylmalic acid
294460.00 238980.00 846960.00
2,7-Anhydro-alpha-N-acetylneuraminic acid_1
7637333.33 7088000.00 9012666.67
2,7-Anhydro-alpha-N-acetylneuraminic acid_2
3060533.33 933600.00 1503933.33
2-(Acetamidomethylene)succinate
8729333.33 7684400.00 6808000.00
2-Amino-9,10-epoxy-8-oxodecanoic acid
908126.67 233473.33 275784.00
2-AminoAMP
295953.33 162840.00 764280.00
2-Chloro-1,4-naphthoquinone
4356533.33 2083533.33 28368000.00
2-Dehydro-D-xylonate
505186.67 2540782.00 76618.00
2-Deoxy-D-ribose 1-phosphate
2420466.67 1624333.33 1839800.00
2-Ethylhexyl phthalate_1
6420000.00 6263333.33 6442000.00
2-Ethylhexyl phthalate_2
30333.07 1067635.00 20272.53
2-Hydroxyfelbamate
8759333.33 6588800.00 5012933.33
2-Oxo-6-methylthiohexanoic acid_1
1684733.33 1079866.67 2944920.00
2-Oxo-6-methylthiohexanoic acid_2
7670000.00 7800000.00 8430000.00
2-Oxo-8-methylthiooctanoic acid
930169.13 129165.08 594444.67
2-Oxosuberate
52520000.00 35540666.67 40226666.67
2-Phosphinomethylmalate
1243366.73 2615.87 21101.07
2-Pyridyl hydroxymethane sulfonic acid_1
18397686.67 9716933.33 13780200.00
2-Pyridyl hydroxymethane sulfonic acid_2
15514353.33 9914266.67 11088200.00
2-Pyridyl hydroxymethane sulfonic acid_3
5600933.33 3013433.33 4343733.33
2-Pyridyl hydroxymethane sulfonic acid_4
1700340.00 1973800.00 8503660.00
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate
76833333.33 136826666.67 91353333.33
2-S-Glutathionyl acetate
2674391.43 2331568.27 713787.33
2-Succinylbenzoate_1
1923200.00 671986.67 2256400.00
2-Succinylbenzoate_2
1746000.00 213186.67 387340.00
3-(3,4-Dihydroxyphenyl)lactate_1
31196000.00 24515333.33 24929333.33
3-(3,4-Dihydroxyphenyl)lactate_2
1247666.67 882840.00 2153286.67
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]...
1941672.00 838453.33 775060.00
3,4,3^-Tri-O-methylellagic acid
12588666.67 10566666.67 12096666.67
3,4-Dihydroxy-L-phenylalanine
567800.00 736720.00 457000.00
3,4-Dihydroxymandelate_1
2148746.67 1792964.67 522726.67
3,4-Dihydroxymandelate_2
367906.67 64365.33 3921646.67
3,4-Dihydroxyphenylethyleneglycol_1
6341266.67 4313466.67 5671666.67
3,4-Dihydroxyphenylethyleneglycol_2
496133.33 447060.00 752806.67
3-(4-Hydroxyphenyl)lactate
14769666.67 4335333.33 12031333.33
3-(4-Hydroxyphenyl)pyruvate
526633.33 329600.00 950066.67
3^,5^-Cyclic AMP
5803333.33 4458666.67 5386666.67
3^,5^-Cyclic GMP
5604800.00 3225666.67 4730837.33
3,5-Dinitroguaiacol
295800000.00 294866666.67 297000000.00
3,7-Di-O-methylquercetin
239746.67 1777726.67 246253.33
(3-Arylcarbonyl)-alanine
9114533.33 8713666.67 33604000.00
3-beta-D-Galactosyl-sn-glycerol_1
3962381.33 1466821.33 1386961.33
3-beta-D-Galactosyl-sn-glycerol_2
1833467.33 2205633.33 1175273.33
3-beta-D-Galactosyl-sn-glycerol_3
1722865.71 541878.00 1540896.67
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
21598533.33 18166666.67 15448600.00
3-Fluoro-cis,cis-muconate
24790400.00 21137333.33 16838533.33
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
170333333.33 177200000.00 172333333.33
3-Hydroxy-L-glutamate_1
6201.33 27810.00 3415302.00
3-Hydroxy-L-glutamate_2
17841.33 55388.67 2392865.93
3-Methyldioxyindole
155168.00 87111.33 437651.33
3-Oxalomalate
305553.33 1361366.67 272233.33
3-Oxododecanoic acid
1227080.00 723646.67 966973.33
3-Sulfino-L-alanine
531406.67 386286.67 539800.00
3-Sulfocatechol
605133333.33 550600000.00 2169600000.00
3-Sulfomuconate
5953200.00 9353000.00 2009200.00
3-tert-Butyl-5-methylcatechol
2854900.00 2358606.67 3893666.67
4-(2-Aminophenyl)-2,4-dioxobutanoate_1
1443600.00 1938846.67 2385799.33
4-(2-Aminophenyl)-2,4-dioxobutanoate_2
4603066.67 2249400.00 4677333.33
4-(3-Methylbut-2-enyl)-L-tryptophan
227155.33 65985.33 33355.33
4,4^-Biphenyldithiol_1
8116000.00 10992000.00 6332000.00
4,4^-Biphenyldithiol_2
15121700.00 12242733.33 15223133.33
4,4-Bis[4-(acetyloxy)phenyl]3-hexanone_1
1955320.00 677626.67 1344598.00
4,4-Bis[4-(acetyloxy)phenyl]3-hexanone_2
1602353.33 782493.33 1061300.00
4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate
26330000.00 17039333.33 16006666.67
4,4^-Diaminostilbene dihydrochloride_1
12332000.00 10022000.00 12169333.33
4,4^-Diaminostilbene dihydrochloride_2
309220.00 1419466.67 354183.33
4,4^-Dichlorobenzophenone_1
4750040.00 599113.33 4298533.33
4,4^-Dichlorobenzophenone_2
676866.67 1215106.67 314733.33
4-Amino-4-deoxychorismate_1
39770000.00 23970000.00 57113333.33
4-Amino-4-deoxychorismate_2
34394666.67 19630000.00 50960000.00
4-(beta-D-Glucosyloxy)benzoate
1867826.67 1358266.67 1836686.67
4-Carboxy-4-hydroxy-2-oxoadipate
6037600.00 3147933.33 8120666.67
4-Hydroxy-2-quinolinecarboxylic acid_1
33246666.67 29256000.00 36113333.33
4-Hydroxy-2-quinolinecarboxylic acid_2
5902000.00 6652000.00 6750000.00
4-Hydroxycinnamyl alcohol 4-D-glucoside
153649.33 324128.67 281020.00
4-Nitrophenol-alpha-D-galactopyranoside
1147938.00 824133.33 277953.33
4-Nitrophenyl-3-ketovalidamine_1
2304133.33 5237933.33 1591466.67
4-Nitrophenyl-3-ketovalidamine_2
2099.00 466276.92 1968.50
4-O-beta-D-Glucosyl-4-hydroxycinnamate_1
7578666.67 13139933.33 12717866.67
4-O-beta-D-Glucosyl-4-hydroxycinnamate_2
3487600.00 8163200.00 6337066.67
4-Pyridoxate_1
7457333.33 17219266.67 13866266.67
4-Pyridoxate_2
1884133.33 3596733.33 1138266.67
4-Pyridoxate_3
2630266.67 2813000.00 2524133.33
5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone
4220540.00 2960093.33 5912146.67
5-Amino-6-(5^-phospho-D-ribitylamino)uracil
284540.00 294866.67 433566.67
5-Fluorouridine monophosphate
382060.00 246153.33 443800.00
5-Guanidino-3-methyl-2-oxopentanoate
6083133.33 1874640.00 1844346.67
5-Hydroxyferulic acid methyl ester_1
2283533.33 1139266.67 1545933.33
5-Hydroxyferulic acid methyl ester_2
2789233.33 1534533.33 1814000.00
5-Hydroxyindoleacetate
13131333.33 7595466.67 15729333.33
5-Hydroxy-L-tryptophan
14654000.00 11201333.33 13719333.33
5-Hydroxymethyldeoxycytidylate
871133.33 992533.33 843600.00
5-Methyl-3-isoxazolyl sulfate_1
371139.80 3112725.18 17680999.13
5-Methyl-3-isoxazolyl sulfate_2
544882.17 649621.62 44310214.29
5-Methyl-3-isoxazolyl sulfate_3
294213.33 382260.00 8237466.67
5-Methylthiopentanaldoxime
689866.67 439040.00 183133.33
5-O-Methyl-myo-inositol
2559080.00 2877286.67 3363400.00
5-Sulfosalicylate_1
63366666.67 41363533.33 42911333.33
5-Sulfosalicylate_2
11775866.67 7947706.67 7159333.33
(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
1393473.33 1210849.33 684202.00
6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydr...
2391006.67 4073686.67 17649666.67
6-Acetyl-D-glucose
29964694.00 5340766.67 42249820.00
6-(alpha-D-Glucosaminyl)-1D-myo-inositol
5220.75 1991.00 347527.78
6-Demethylsterigmatocystin
1808676.67 716883.60 3211378.67
6-Hydroxyindolelactate
13395733.33 7531333.33 10954866.67
6-Methoxymellein_1
1095941.33 2772988.00 3020420.00
6-Methoxymellein_2
2572082.67 97749.33 381500.67
7,8-Dihydroxycoumarin
1089933.33 1416246.67 590433.33
7-Deoxyloganate_1
25968666.67 17339333.33 14138666.67
7-Deoxyloganate_2
9513600.00 10304133.33 26494000.00
7-Deoxyloganate_3
15063333.33 16914000.00 13499333.33
7-Deoxyloganetin
5519600.00 4754533.33 4358866.67
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
2013833.33 1479098.67 1626674.67
7-Hydroxy-6-methyl-8-ribityl lumazine_1
19736000.00 12758666.67 19209333.33
7-Hydroxy-6-methyl-8-ribityl lumazine_2
19164000.00 10085333.33 9884000.00
7-Mercaptoheptanoic acid
5581266.67 4506800.00 4439933.33
7-Mercaptoheptanoylthreonine
1022080.00 771266.67 1216660.00
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate_1
11689533.33 3946466.67 7913266.67
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate_2
7005533.33 3837133.33 4247266.67
8-Amino-7-oxononanoate_1
785266.67 742493.33 1310400.00
8-Amino-7-oxononanoate_2
1357533.33 1147693.33 1210000.00
8-Amino-7-oxononanoate_3
508400.00 1333160.00 631200.00
8-Amino-7-oxononanoate_4
904923.33 159663.33 74618.00
8-Epiiridodial glucoside
14794000.00 8357066.67 8689466.67
8-Epiiridotrial glucoside
47713333.33 40253800.00 36897333.33
8-Hydroxyalanylclavam
227500.00 821980.00 118146.67
8-Oxodeoxycoformycin
2559493.33 503453.33 932726.67
8-Oxoguanine
1955453.33 1874240.00 1482100.67
9,12,13-TriHOME_1
14333333.33 13268000.00 13758666.67
9,12,13-TriHOME_2
6102000.00 7057333.33 6010000.00
9-Hydroxybenzo[a]pyrene-4,5-oxide
566333.33 404206.67 374253.33
(9R,10R)-Dihydroxyoctadecanoic acid
5917333.33 5684000.00 5901333.33
9-Riburonosyladenine
2510.00 1638.25 335020.00
Abscisate
501010.00 341233.33 1172800.00
Abscisic acid glucose ester_1
7527066.67 4821466.67 7500266.67
Abscisic acid glucose ester_2
5918400.00 6045466.67 5974933.33
Acetophenazine
12792.60 15080.53 210674.27
Acetyl-maltose_1
3701186.67 2104318.00 2758653.33
Acetyl-maltose_2
4506186.67 1331632.00 2365120.00
Acronycidine
2907953.33 4310744.00 2340560.00
Acutumidine
35781.25 2030.00 4271001.67
Acyclovir
714.25 21250376.00 -
Adiantifoline
217744.67 293290.00 632903.33
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-...
874866.67 752000.00 884866.67
alpha-Ribazole
1864733.33 1599333.33 1429733.33
Altersolanol A
1693952.67 43208.60 171117.33
AMCC
16525333.33 25056000.00 25670000.00
Amoxicillin
45740.00 3477.27 20116467.78
AMPA_1
8674666.67 6714000.00 8126000.00
AMPA_2
1076200.00 4140800.00 1083733.33
Anastrozole
1009268.67 12471.21 7623.57
Androsterone glucuronide
62726666.67 52832666.67 55553333.33
Anhydrochlortetracycline
15235.08 447219.00 41200.08
Aniracetam
7555266.67 7816120.00 5907066.67
Anisatin_1
2393360.00 1859646.67 1938600.00
Anisatin_2
1090293.33 563513.33 706973.33
Anthocyanin
2803.33 2531.60 1672869.00
Anthocyanin 3^-O-beta-D-glucoside
381719.33 419596.67 1227213.33
Antirrhinoside
4337933.33 3119933.33 4712000.00
Arg-OEt
1814266.67 1235866.67 2676533.33
Artecanin
133946.67 973744.67 141636.67
Ascorbate
5025666.67 940946.67 1156653.33
Ascorbate 2-sulfate_1
409200000.00 301040000.00 313353333.33
Ascorbate 2-sulfate_2
358133333.33 266553333.33 272033333.33
Asebogenin
242067.80 2599.31 88433.07
Asparenomycin A_1
1985466.67 1836533.33 1454600.00
Asparenomycin A_2
4541898.30 13828155.83 2322957.78
Asperuloside
1780081.33 216008.00 371133.33
Aspidinol
11913466.67 10162133.33 12297466.67
Atractyloside A
405386.67 1024126.67 1619893.33
Aucubin
1491526.67 787530.67 896293.33
Autumnolide
152100.00 564846.67 746400.00
Azelaic acid
95726666.67 97273333.33 98820000.00
Azinphos-ethyl_1
829020.00 1232129.33 9351726.67
Azinphos-ethyl_2
186886.67 122653.33 646560.00
Azoxystrobin
227702.00 82173.33 283697.33
Baicalin
2152673.33 271538.57 1241280.67
Bakkenolide A
2351333.33 2056000.00 2338000.00
Balofloxacin_1
2287333.33 1875800.00 3944000.00
Balofloxacin_2
4005666.67 1117866.67 2791933.33
Barbaloin_1
2993477.33 3922672.00 3227275.67
Barbaloin_2
329138.67 5021.50 177148.38
Bendiocarb_1
4363066.67 3221933.33 5162000.00
Bendiocarb_2
4365733.33 3290600.00 4084533.33
Benzthiazuron
4402308.00 1701363.33 1841410.67
Berberastine
2924017.33 1844285.71 1379907.33
Berberine chloride_1
853006.67 943220.00 2246626.67
Berberine chloride_2
809473.33 813920.00 1089960.00
Berberine chloride_3
159580.00 255308.13 623562.67
Bergenin_1
6996733.33 5715813.33 6684466.67
Bergenin_2
5991466.67 2004533.33 2140933.33
beta-Citryl-L-glutamate
41886666.67 32593333.33 35413333.33
Biotin sulfone
2615800.00 1938150.00 1103066.67
Biotin sulfoxide_1
1124366.67 1069773.33 495266.67
Biotin sulfoxide_2
368726.67 878404.67 434760.00
Bis(4^-chlorophenyl)methane_1
2394844.00 303733.33 1325667.33
Bis(4^-chlorophenyl)methane_2
1576177.33 304186.67 669667.33
Bis-D-fructose 2^,1:2,1^-dianhydride
125740.00 63202.67 216074.00
Boc-Asn_1
857093.33 3777666.67 835800.00
Boc-Asn_2
1716933.33 501393.33 564933.33
Boc-Asn-OPhNO2
1052666.67 921400.00 918866.67
Botrydial
13620000.00 13406666.67 13286666.67
Bowdichione
6916.56 12399.57 238635.12
Bruceoside A
3129.80 927820.00 935.25
Butenachlor
24106.67 21116.00 229925.33
Butopyronoxyl_1
19697000.00 15088066.67 17810666.67
Butopyronoxyl_2
1374800.00 1060820.00 2194933.33
C20913
2545866.67 4312466.67 1047333.33
Calcium levulinate anhydrous
1929373.33 210171.33 229626.67
Carbamorph
2532133.33 6311133.33 3638933.33
Castanospermine_1
20426000.00 16584666.67 20694666.67
Castanospermine_2
6717400.00 5220653.33 3742933.33
Castanospermine_3
16478826.67 227518.00 408126.67
Cellobionate
2654894.67 843026.67 591909.33
Cerulenin
17778800.00 13408266.67 14820666.67
Chlorbufam
813993.43 1877.20 53149.00
Chlorogenate
272644.67 3786867.33 150432.00
Chloroxuron
1328992.14 111278.67 192986.00
Chlorphentermine
391320.00 1198853.33 992257.33
Chlorpromazine
744586.67 386666.67 242720.00
Chlorpromazine N-oxide_1
1141650.00 2566881.54 2413200.00
Chlorpromazine N-oxide_2
630800.00 771400.00 809733.33
Cholesterol sulfate
389420.00 264666.67 488020.00
Cholic acid
323714.13 226952.00 683734.00
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
79613333.33 57809333.33 68966666.67
cis-2-Carboxycyclohexyl-acetic acid_1
49820000.00 41674000.00 73284666.67
cis-2-Carboxycyclohexyl-acetic acid_2
27898000.00 26862000.00 34278666.67
cis-2-Carboxycyclohexyl-acetic acid_3
657980.00 354486.67 18902000.00
cis-2-Carboxycyclohexyl-acetic acid_4
34018000.00 22093333.33 30605333.33
cis-4-Carboxymethylenebut-2-en-4-olide
284280.67 29720.00 1534815.33
cis-(Homo)3-aconitate
1891633.33 287698.67 312386.67
CITRATE
2724000000.00 2995333333.33 2951333333.33
Clavulanic acid
3425746.67 2604666.67 1810760.00
CNQX
3172973.33 667420.00 986604.00
Coformycin
997686.00 47652.00 179048.67
Coniferin_1
21274666.67 17583533.33 21456666.67
Coniferin_2
19918666.67 20334866.67 17343333.33
Coniferin_3
9490393.33 7417333.33 1242406.67
Coniferin_4
3467733.33 1479800.00 6296000.00
Coniferyl alcohol
14960000.00 15437333.33 14493333.33
Corniculatusin
8881933.33 12251333.33 11217333.33
Creatine-D3
33000.00 28640.00 33963.33
Creatinine
312066666.67 268400000.00 285466666.67
Croconazole
1948466.67 1050353.33 712606.67
Crotanecine
1102160.00 1329802.67 1087400.00
Cyclic GMP-AMP
5950666.67 5680000.00 5753333.33
cyclo-Dopa 5-O-glucoside_1
5900173.33 128710.67 423900.00
cyclo-Dopa 5-O-glucoside_2
771333.33 512240.00 852173.33
Cyclophosphamide
211660.00 266340.00 349053.33
Cypermethrin
760640.00 510307.33 365360.00
D-Alanyl-D-serine
4012000.00 3352666.67 3589333.33
Dalpanin
792306.00 390009.20 85727.33
Danielone_1
63041333.33 34233333.33 60782000.00
Danielone_2
33365333.33 10405400.00 23652666.67
Danielone_3
16369333.33 10829333.33 12080000.00
Dantrolene_1
1719800.00 1403533.33 1876733.33
Dantrolene_2
1989133.33 1250933.33 2315400.00
DCEBIO_1
9441266.67 1835878.00 5168380.00
DCEBIO_2
4128999.33 7768.67 9193.27
Debromoaplysiatoxin
158593.89 748173.89 57428.56
Decarbamoylgonyautoxin 1_1
363841.33 2449700.00 3640733.33
Decarbamoylgonyautoxin 1_2
243941.33 153218.00 1282726.67
Dehypoxanthine futalosine
4459000.00 1286520.00 879173.33
Deoxycoformycin
8175333.33 7164000.00 8425333.33
Deoxyguanidinoproclavaminic acid
1262066.67 1053600.00 834933.33
Deoxylimononic acid D-ring-lactone
1064585.00 362725.00 444522.86
Deoxyloganin_1
2475800.00 2293946.67 2744466.67
Deoxyloganin_2
310766.67 696880.00 397706.67
D-Galactose 6-sulfate
6178940.00 5697133.33 6160533.33
D-Glucono-1,5-lactone
1473040.00 457565.33 5047780.00
D-GLUCURONOLACTONE
95553333.33 94153333.33 95960000.00
Didanosine
506980.00 339028.67 443331.33
Didrovaltratum
889993.33 968800.00 1119800.00
Diethyl 2-methyl-3-oxosuccinate_1
3287600.00 1148333.33 15699733.33
Diethyl 2-methyl-3-oxosuccinate_2
5523866.67 4822946.67 3406133.33
Diethyl 2-methyl-3-oxosuccinate_3
5601733.33 1085066.67 6122400.00
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate
8191466.67 5209266.67 10302600.00
Digalacturonate
43396.43 4315.27 122976.43
Dihydromyricetin
10390333.33 9609800.00 12068333.33
Dihydrozeatin-O-glucoside
186094.67 1434108.00 161436.67
DIMBOA_1
6964933.33 3370800.00 7902600.00
DIMBOA_2
5652266.67 441333.33 2331866.67
DIMBOA-glucoside
1206196.67 458916.67 1109712.00
Disperse Blue 1
310180.00 168300.00 493433.33
D-Lombricine
9725333.33 5881066.67 5646000.00
D-Mannitol 1-phosphate
4098048.67 291854.00 690809.33
DMPP_1
3119533.33 3157933.33 1078600.00
DMPP_2
452638.00 5298720.00 758333.33
Dodecanedioic acid_1
1491333.33 3188000.00 2370066.67
Dodecanedioic acid_2
3235466.67 1753400.00 997600.00
Dodecanedioic acid_3
1299686.67 1753580.00 2023600.00
Dodecanedioic acid_4
1024200.00 2081533.33 1758333.33
Dodecanedioic acid_5
3956133.33 1722733.33 981600.00
Dodecanedioic acid_6
2084000.00 1233406.67 1240466.67
Doxazosin
941913.33 840121.33 1103060.00
D-Prephenyllactate
390693.33 399880.00 2632400.00
Drazoxolon
6963333.33 5996666.67 6492000.00
D-RIBOSE 5-PHOSPHATE
7478800.00 6522200.00 14212666.67
D-SACCHARIC ACID
21246666.67 22156000.00 21846666.67
D-Urobilinogen
24949.57 1888052.00 12567.14
D-Xylonate_1
116853333.33 137026666.67 163866666.67
D-Xylonate_2
267367333.33 300738666.67 204844000.00
E3040
705285.33 1250760.00 805706.67
EDTA
18706000.00 14680000.00 19400666.67
Elephantopin
1117133.33 542533.33 781933.33
Enoxacin
1675518.00 43705.27 130707.33
Epithienamycin B
15851374.67 159572.67 2552491.43
erythro-3-Hydroxy-Ls-aspartate
3518666.67 1374866.67 1468466.67
Eseramine_1
943773.33 521186.67 2295886.67
Eseramine_2
1781786.67 1598746.67 2065493.33
Estazolam
321943.20 11867.93 13052.00
Eudistomin C
1454533.33 1313800.00 1179666.67
Evadol hydrochloride
690866.67 397706.67 404653.33
Fenoldopam_1
1944933.33 2097066.67 1104366.67
Fenoldopam_2
1563600.00 2192400.00 1711700.00
Fenpiclonil
2911333.33 3876200.00 3193733.33
Fenvalerate
693386.14 1087828.67 1133305.83
Ferrous lactate
24868533.33 17454419.33 46927933.33
Flamprop-M
710500.00 643346.67 671902.67
Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]
860869.73 217785.54 510720.00
Flavonol 3-O-D-xylosylglucoside
311037.58 32600.40 70765.55
Fluazifop
3240466.67 1720000.00 1379866.67
Forchlorfenuron_1
2084665.40 6354035.00 2651299.90
Forchlorfenuron_2
4707333.33 3745133.33 1346666.67
Forchlorfenuron_3
2014133.33 1057400.00 2017546.67
Forchlorfenuron_4
3154000.00 1302466.67 1232000.00
Fraxin_1
14223806.67 9814666.67 16659133.33
Fraxin_2
5320400.00 5784933.33 9119533.33
Fraxin_3
8483733.33 10855466.67 13496200.00
Fraxin_4
1293300.00 3813666.67 3448733.33
Fructoselysine
1503213.33 527853.33 1487520.00
Funebrine
1608457.33 2458375.33 1092700.00
Furamizole
101090.00 214202.67 2424352.67
Furcatin
819553.33 1479760.00 1125466.67
Furmecyclox
2458000.00 2884000.00 2455333.33
Fusarenone X_1
4925000.00 834533.33 3099200.00
Fusarenone X_2
2682933.33 739866.67 1050533.33
Gallate
146198.67 109913.33 1109686.67
gamma-Glutamyl-gamma-aminobutyraldehyde
34738666.67 18513333.33 24657333.33
gamma-Glutamyltyramine
5282200.00 6789266.67 5796266.67
gamma-L-Glutamyl-D-alanine
1986466.67 1757000.00 1822600.00
gamma-L-Glutamyl-L-cysteine
3417.27 2770.25 2661593.60
gamma-Undecalactone
783420.00 949713.33 889560.00
Gardenoside
678003.33 108793.33 34448.67
Genipin_1
18104666.67 11182400.00 21626000.00
Genipin_2
580100.00 2648906.67 485493.33
Genipin_3
3415326.67 237520.00 338246.67
Gentiopicrin_1
5255266.67 2660713.33 2010673.33
Gentiopicrin_2
3768400.00 11090733.33 9241266.67
Gentiopicrin_3
2800733.33 2002813.33 1816780.00
Gentiopicrin_4
3518107.33 16028673.33 3629568.00
Gibberellin A44 diacid
720490.67 371444.07 72480.00
Glaucarubin_1
732966.67 612055.33 928746.67
Glaucarubin_2
4299198.67 4121700.00 1212916.00
Glaucarubin_3
2431587.33 2770356.00 3780191.33
Glucocleomin
512997.00 116560.00 330728.17
Glucoiberverin
1047866.67 1589200.00 1280066.67
Glucose/Fructose [M+Cl]-
79073333.33 58173333.33 59606666.67
Glucotropaeolin
11157333.33 12146000.00 11354000.00
Glucovanillin_1
1657686.67 593306.00 1036806.67
Glucovanillin_2
1555446.67 1718800.00 2868666.67
Glucovanillin_3
1178353.33 856772.67 895520.00
Glutamine
17825333.33 16006666.67 16281333.33
GLYCEROL 2-PHOSPHATE
3804200.00 3955866.67 3479333.33
Glycerophosphoglycerol
21982666.67 9274666.67 11395333.33
Glycochenodeoxycholate 7-sulfate
2570655.45 1144637.42 2339483.46
Glycocholate
2658000.00 1330266.67 2430600.00
Glycodeoxycholate
824626.67 412091.33 550120.00
Glycyl-leucine_1
1811600.00 2263400.00 2967666.67
Glycyl-leucine_2
1110202.09 1636.45 152874.55
Grandidentatin_1
212540.00 175158.67 768900.00
Grandidentatin_2
385626.67 254273.33 535920.00
Graphinone
2150993.33 1368034.67 1111573.33
Guanidinoethyl methyl phosphate_1
3119600.00 2369266.67 3279666.67
Guanidinoethyl methyl phosphate_2
2870266.67 1971266.67 2320333.33
Guanidinoethyl methyl phosphate_3
325633.33 123506.67 270986.67
GW 9662
71289333.33 43584000.00 70426666.67
HC Blue No.1
878080.00 1678720.00 352260.00
HC Blue No. 2_1
3483600.00 2393533.33 2352000.00
HC Blue No. 2_2
2172933.33 2137533.33 1024666.67
HC-toxin_1
5098000.00 5944666.67 6489333.33
HC-toxin_2
9628333.33 5493066.67 5232066.67
Hellicoside
3135162.00 1072.33 78390.00
Hesperetin
162266.67 388440.00 181733.33
Hesperetin 7-O-glucoside
227312.40 6660.54 72144.43
Heterocladol
2910066.67 4493853.33 13158266.67
Hexaflumuron
1153142.42 684450.77 554980.00
Hinokitiol glucoside
3177000.00 6413466.67 9888646.67
Histidine
100586666.67 78080000.00 100986666.67
Hordatine A
1315360.00 860406.67 1194926.67
Hymenoxon
125275.33 744048.00 100198.00
Hymexazol O-glucoside
5110133.33 5566000.00 6576466.67
Hyoscyamine methylbromide
12796666.67 8980000.00 10304000.00
Hypoglycin B
5711333.33 2702133.33 5813600.00
Hypoxylone
2667333.33 2187533.33 2228666.67
Indolelactate
55057333.33 55351333.33 59300000.00
Indolepyruvate
11564610.67 17618846.67 17641429.33
Inosine
5443866.67 5213066.67 3628200.00
ISOCITRIC ACID
595600000.00 412866666.67 472466666.67
Isofenphos
2356666.67 2006266.67 2141666.67
Isopentenyladenosine-5^-diphosphate
3014200.00 2383000.00 2794866.67
Isoscoparine_1
437972.33 964598.62 972290.00
Isoscoparine_2
431271.67 963946.31 1140227.14
Isosorbide mononitrate
9468000.00 9183333.33 9482000.00
Isotan B_1
18242000.00 12058733.33 11198666.67
Isotan B_2
3817266.67 2539400.00 1842866.67
Kaempferol 3-sophorotrioside
950266.67 794006.67 946933.33
Kanamycin B
3485400.00 3288866.67 3610000.00
Kolaflavanone
714369.09 15502.86 23613.33
L-2,3-Dihydrodipicolinate
43902666.67 75566666.67 44060000.00
L-Adrenaline
9180000.00 12999333.33 88819333.33
Lamioside
687993.33 254984.67 260346.67
L-Ascorbic acid-2-glucoside
3717866.67 4394600.00 5199600.00
Laserpitin
638354.29 537312.83 430689.33
L-Cladinose
15064000.00 14538666.67 13960000.00
Lecanoric acid
2194400.00 1627000.00 843133.33
Leflunomide
2732066.67 2486666.67 1880973.33
Leonuridine_1
5054733.33 1533133.33 1697400.00
Leonuridine_2
2016266.67 1418600.00 2230066.67
Leucomethylene blue
1080066.67 755240.00 2540866.67
L-Formylkynurenine
1612162.67 37014.87 748195.33
Linezolid_1
491606.67 538640.00 437319.33
Linezolid_2
491540.00 671020.00 442209.33
Lipoamide
4233676.67 3119660.00 2116580.00
Lithospermoside
763466.67 732333.33 628280.00
LL-2,6-Diaminoheptanedioate_1
859173.33 539160.00 520973.33
LL-2,6-Diaminoheptanedioate_2
794253.33 264640.00 328780.00
L-Mimosine
14919333.33 12146666.67 11966666.67
Loganin
4225866.67 2816466.67 4054733.33
Lophophorine
1028300.00 648213.33 627533.33
Loxapine
437053.33 1611413.33 110650.00
L-Tyrosine methyl ester
16533333.33 16420000.00 17166666.67
L-Tyrosine methyl ester 4-sulfate
11630000.00 9535333.33 6327333.33
Lusitanicoside
1361466.67 1140893.33 1573800.00
Lysine
293862.00 133080.00 213900.00
Maculosin
170466.67 305082.67 124925.33
Mallotophenone
1059596.73 22302.60 97598.07
Mangiferin
444884.00 111072.50 1271252.50
Medicarpin 3-O-glucoside-6^-malonate
1958073.33 1029850.00 1485832.33
Menazon
1297133.33 1250133.33 1154733.33
Mercury(2+)
103930000.00 113006666.67 112886666.67
Metaxalone
5335466.67 4474120.00 4323733.33
Metazachlor
6765133.33 5751466.67 7077466.67
Metconazole
725540.00 575160.00 881640.00
Meteloidine
390132.77 7897.53 9992.86
Methapyrilene
841920.00 891586.67 1018253.33
Methyl 2-diazoacetamidohexonate_1
19113333.33 19225333.33 24794666.67
Methyl 2-diazoacetamidohexonate_2
11353333.33 13858666.67 17065333.33
Methyldopa anhydrous_1
609021.33 1698054.67 1079304.67
Methyldopa anhydrous_2
706140.00 1145706.67 290088.00
Midazolam
71426666.67 46334000.00 39366666.67
Midodrine
9322000.00 6789333.33 8272400.00
Miraxanthin-II_1
553846.50 93378.44 132849.43
Miraxanthin-II_2
3343081.60 141996.29 120696.07
Mitomycin
786246.67 1975788.67 2056546.67
MK 571
263302.67 47746.07 111584.67
Moricizine
1840400.00 924533.33 1080133.33
Morphine-6-glucuronide
1337089.67 902.00 64470.00
Moxifloxacin
1858673.33 6712480.00 5170933.33
Musca-aurin-VII
1984200.00 1589380.00 1564933.33
N-(2,3-Dihydroxybenzoyl)-L-serine_1
14794066.67 10820533.33 10920000.00
N-(2,3-Dihydroxybenzoyl)-L-serine_2
2115960.00 1541566.67 2966393.33
N2-Acetyl-L-aminoadipate_1
6308266.67 3110920.00 9764526.67
N2-Acetyl-L-aminoadipate_2
17978666.67 12694666.67 12400000.00
N2-Acetyl-L-aminoadipate_3
6140000.00 3569266.67 4114000.00
N7-Methylguanosine
541346.67 435906.67 377630.00
N-Acetylaspartylglutamate_1
14572000.00 13924666.67 14931333.33
N-Acetylaspartylglutamate_2
6029333.33 4026066.67 4558266.67
N-Acetyl-D-fucosamine
1771400.00 958266.67 1152200.00
N-ACETYL-DL-GLUTAMIC ACID
31940000.00 27550000.00 32793333.33
N-ACETYL-D-MANNOSAMINE
7987333.33 6644666.67 6840666.67
N-Acetyl-D-tryptophan
11054000.00 10662933.33 9580000.00
N-Acetylglucosamine 4-sulfate
24968000.00 22044000.00 21213333.33
N-Acetyl-L-glutamate 5-semialdehyde
4395866.67 2572866.67 3271266.67
N-Acetyl-L-leucine_1
25672666.67 22397333.33 25088000.00
N-Acetyl-L-leucine_2
13703333.33 13016666.67 16980000.00
N-Acetyl-L-leucine_3
11684666.67 11535333.33 11070000.00
N-Acetyl-L-phenylalanine
5434533.33 3578866.67 4372200.00
N-ACETYLNEURAMINATE
12521333.33 12016000.00 12338000.00
N-Acetylornithine
1002246.67 148789.33 319220.00
N(alpha)-Benzyloxycarbonyl-L-leucine
317433.33 510006.67 304646.67
N-AMIDINO-L-ASPARTATE
3870600.00 4436400.00 1734266.67
Naringenin 7-O-beta-D-glucoside
2439493.33 2058743.33 4083552.00
N-Benzyloxycarbonylglycine_1
37666666.67 24769333.33 31328000.00
N-Benzyloxycarbonylglycine_2
1175400.00 1040333.33 7198666.67
N-Carbamyl-L-glutamate
5827333.33 8275333.33 10218666.67
Neostigmine bromide_1
5456600.00 2873200.00 5630573.33
Neostigmine bromide_2
253400.67 498233.07 1201913.33
Neostigmine bromide_3
1952466.67 762200.00 704613.33
N-Feruloylglycine
38719333.33 25929333.33 45946666.67
N-Heptanoylhomoserine lactone
1525266.67 1029800.00 899733.33
Nicotianamine
6694066.67 7321466.67 4967333.33
Nicotinurate_1
20632666.67 15686666.67 47306666.67
Nicotinurate_2
25247333.33 23094666.67 29051333.33
Niflumic acid_1
2200840.00 1168440.00 4482933.33
Niflumic acid_2
2096466.67 2181400.00 1876600.00
Nitrogen mustard
1137026.67 224910.00 487992.86
Nitrovin
1126933.33 714866.67 1003866.67
N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride
1184886.79 7017.83 54375.00
Nocardicin C
11821333.33 9218666.67 11044666.67
Octamethyltrisiloxane
1105400.00 947466.67 1265866.67
Ofloxacin_1
919493.33 1613693.33 1582466.67
Ofloxacin_2
2377866.67 824466.67 426660.00
O-Propanoylcarnitine
5446933.33 4195486.67 5069866.67
Oseltamivir
762926.67 388693.33 463306.67
O-Succinyl-L-homoserine
3492800.00 3013000.00 3130200.00
Oxalosuccinate
1749245.33 309526.67 403380.67
Oxazepam
30391.64 1025450.86 14720.29
Oxaziclomefone
177628.33 7196.00 9036.92
Oxmetidine
500814.29 784623.93 1079717.86
Ozagrel hydrochloride
12298660.00 11282360.00 9440380.00
Paeonolide
18288666.67 13880666.67 18819333.33
Panfuran S
1452286.67 1192420.00 1411420.00
Pantothenate
25543333.33 21352000.00 28300000.00
Pantothenol
61818.43 223165.80 28120.00
Parsonsine
623768.40 995.20 935.00
Paucin
2930800.00 1743733.33 2167533.33
Pendimethalin
556978.67 530260.00 289800.00
Pentahomomethionine
988800.00 853206.67 941933.33
Pentamidine
1268204.00 581600.00 353446.00
Perindopril
961518.00 675566.67 1429893.33
Perseitol_1
23143851.33 18182760.00 13269284.67
Perseitol_2
3543466.67 22833466.67 3785600.00
Phenylacetylglutamine
1072933333.33 816466666.67 904666666.67
Phenylgalactoside_1
3093133.33 2250800.00 2279533.33
Phenylgalactoside_2
221920.00 115394.00 682460.00
Phenylgalactoside_3
1429400.00 632000.00 751166.67
Phenylmethanesulfonyl fluoride_1
805666666.67 586600000.00 735866666.67
Phenylmethanesulfonyl fluoride_2
426280000.00 297046666.67 393733333.33
Phenylpyruvate
2747393.33 305920.00 434006.67
PHOSPHOCHOLINE
4107733.33 2762600.00 2750400.00
Phosphoramide mustard
1468069.33 71469.33 79410.00
p-Hydroxyphenylacetothiohydroximate_1
11862897.47 49656.86 1308768.57
p-Hydroxyphenylacetothiohydroximate_2
3910276.33 17184.38 405105.38
Plumieride
481086.67 519426.67 383500.00
Podophyllotoxone
1985333.33 2272933.33 1961800.00
Polypodine B
4348000.00 2541600.00 4334200.00
Porphobilinogen
26623333.33 17722666.67 14577333.33
Portulacaxanthin II
606780.00 275383.33 289061.33
Potassium cyanate_1
1925800.00 1123846.00 8490000.00
Potassium cyanate_2
14656266.67 6042866.67 4707166.67
Potassium cyanate_3
552006.67 2423333.33 705126.67
Potassium cyanate_4
2376006.67 508066.67 2156460.00
p,p^-Methoxychlor olefin
291726.67 175139.73 340077.33
Prodiamine
2066053.33 1398226.67 1112080.00
Prontosil
309165.33 256389.33 2923733.33
Propachlor_1
1837673.33 3018188.00 932160.00
Propachlor_2
3523653.33 1731400.00 1036360.00
Propanethial S-oxide
1639653.33 572060.00 499533.33
Propantheline chloride
916093.33 466580.00 410200.00
Proparacaine
125565.36 63219.29 140836.42
Propyzamide_1
5445680.00 2819300.00 4216420.67
Propyzamide_2
1441186.00 452788.43 537770.00
Prostaglandin G2
3009153.33 1522586.00 1160646.67
Psicofuranine
11734000.00 9940000.00 10178666.67
Pulcherriminic acid
34529333.33 29446666.67 33590000.00
Pydanon
38186666.67 34106666.67 33980000.00
Pyricarbate
343266.67 211833.33 308773.33
Pyridaben
5030000.00 3831733.33 4916000.00
Quercetin 3-O-glucoside
93427.50 94031.17 212708.92
Quercitrin_1
4913053.33 6146262.00 8787660.00
Quercitrin_2
4245053.33 4392928.67 7288953.33
Quetiapine
765751.92 153244.92 202130.67
Quinate
5908446.67 2084991.33 358408.67
Quinoclamin
19992.00 17664.67 1685324.67
Quinolinate
64346666.67 52880000.00 70986666.67
Quizalofop-ethyl
2011184.00 1096768.00 1893826.67
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_1
40740000.00 29514000.00 21239333.33
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_2
927266.67 968313.33 73088666.67
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_3
17560666.67 25044666.67 11904666.67
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_4
16146000.00 12232666.67 10784000.00
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_1
15888000.00 12288666.67 14567333.33
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_2
8129133.33 8239466.67 8621333.33
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_3
2148486.67 2151933.33 2203820.00
Reduced riboflavin_1
20361333.33 15984000.00 16121000.00
Reduced riboflavin_2
2020600.00 2888833.33 1485406.67
Reduced riboflavin_3
2370200.00 1585400.00 3773000.00
Rehmaionoside A_1
517880.00 320764.00 2239462.67
Rehmaionoside A_2
875160.67 209400.00 469156.67
Rehmaionoside C_1
3920400.00 3267866.67 3481733.33
Rehmaionoside C_2
1915866.67 818786.67 2613200.00
Rhododendrin_1
3377933.33 3482800.00 2797466.67
Rhododendrin_2
4133933.33 4501466.67 2708800.00
(R)-(Homo)2-citrate_1
17465140.00 28006133.33 24808966.67
(R)-(Homo)2-citrate_2
3753949.33 1660120.00 3261808.00
(R)-(Homo)2-citrate_3
226100.00 314226.67 4806266.67
Riboflavin
14067333.33 13010733.33 15312666.67
Ripazepam_1
6146600.00 3020000.00 7750866.67
Ripazepam_2
5246600.00 5053933.33 6870866.67
Ripazepam_3
9066733.33 5646376.00 5516320.00
Ripazepam_4
4339933.33 2395733.33 5610666.67
Rishitin
21440000.00 21160000.00 21620000.00
Robustine
4307533.33 978466.67 1094066.67
Rosmarinine
41648.57 234122.21 27392.93
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine
4650242.67 3683333.33 2565853.33
S-(2-Methylpropanoyl)-dihydrolipoamide
2542666.67 1743800.00 2196060.00
(S)-ACPA
2048059.33 614950.43 1119299.33
Salidroside
438086.67 571726.67 228398.00
(S)-ATPA_1
15934000.00 18184666.67 18751333.33
(S)-ATPA_2
18577133.33 25384200.00 15078666.67
S-Carboxymethyl-L-cysteine
1245860.00 936286.67 462113.33
Schizonepetoside E_1
3883973.33 862426.67 7482100.00
Schizonepetoside E_2
10520000.00 23451600.00 12753933.33
Schizonepetoside E_3
2343466.67 1141200.00 3461700.00
Schizonepetoside E_4
932093.33 773200.00 2621600.00
Scopoletin
233913.33 346600.00 6251933.33
Scytalone_1
1004693.33 684433.33 729666.67
Scytalone_2
1454220.00 2870640.00 738266.67
Sebacic acid_1
94846666.67 75480000.00 84613333.33
Sebacic acid_2
22446000.00 20470666.67 29040000.00
Secologanate_1
15501333.33 14193333.33 14356000.00
Secologanate_2
9107333.33 9455333.33 8873333.33
Secologanate_3
1834113.33 346000.00 513326.67
Secologanin
484566.67 320720.00 575653.33
Sedoheptulose_1
44620666.67 43056666.67 40740000.00
Sedoheptulose_2
20450571.33 11525933.33 7477059.33
Sesamex_1
1249668.00 368716.67 406586.67
Sesamex_2
211691.33 586946.67 105294.00
Shanzhiside
389700.00 133400.67 123141.33
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine
10959382.67 46625.33 846749.33
Sinapate_1
1259560.00 255608.00 417186.67
Sinapate_2
349113.33 535812.67 1099266.67
Sinapate_3
484720.00 152406.00 1182313.33
Sinapate_4
1170106.67 234193.33 565320.00
Sinapyl alcohol
660566.67 1431500.00 446553.33
sn-Glycero-3-phosphocholine_1
5439413.33 3206860.00 2508666.67
sn-Glycero-3-phosphocholine_2
4023666.67 606066.67 1409746.67
Spectinomycin dihydrochloride
4166453.33 2989753.33 1696773.33
S-Ribosyl-L-homocysteine
399113.33 436380.00 495833.33
S,S-Dimethyl-beta-propiothetin
1106606.67 842966.67 781940.00
S-Sulfo-L-cysteine
2610866.67 2416666.67 2675333.33
Sterigmatocystin
619064.00 824847.14 5092062.67
Suberic acid
77746666.67 78760000.00 84906666.67
Sucralose
26584.82 28506.25 585940.00
Sulbactam
28505333.33 18174666.67 16035333.33
Sulfometuron methyl
3112400.00 3438600.00 3493133.33
Sulfoquinovose_1
1831800.00 1065933.33 3576866.67
Sulfoquinovose_2
1124866.67 1064600.00 2502133.33
Sulmazole_1
133826.67 113912.00 6526540.00
Sulmazole_2
1072420.00 770826.67 532573.33
Sulochrin
74172.73 32284.09 174544.83
Syringin
181047.69 670563.64 1861720.00
Tabtoxin
4027266.67 8373133.33 2836733.33
Tabtoxinine-beta-lactam_1
23871333.33 25341333.33 32120000.00
Tabtoxinine-beta-lactam_2
3616817.33 309220.00 306517.33
Tarennoside
3299900.00 3127853.33 956866.67
Tauropine
7883333.33 6834666.67 7036000.00
Tentoxin_1
2195200.00 2448253.33 2571133.33
Tentoxin_2
813033.33 312924.67 2534942.67
Tentoxin_3
2299933.33 2178860.00 2412840.00
Tentoxin_4
785533.33 1821706.67 930173.33
Tentoxin_5
1878800.00 1051400.00 1486333.33
Testolate
425035.56 701448.50 841054.55
Testosterone glucuronide
5526000.00 4826866.67 5352200.00
Tetraneurin A
1447930.00 695391.33 1068882.00
Thalassemine_1
5291800.00 6287286.67 6688533.33
Thalassemine_2
95738.67 611867.33 443620.00
Thalassemine_3
4671800.00 6010860.00 5244133.33
Thalicarpine
274175.38 81809.09 126030.77
Theogallin
21359333.33 12732000.00 42104000.00
Thiamin diphosphate
68390.00 65457.57 5905042.00
Thiamin monophosphate
3046000.00 1849400.00 6490800.00
Thienodolin
1395450.00 385719.33 1565500.00
Thiolactomycin
2545000.00 2399666.67 1824666.67
Thiorphan
215846.67 329126.67 502466.67
Threonine
14098600.00 13957333.33 15553133.33
THTA
2430066.67 875200.00 985466.67
Tobramycin
16827333.33 14006800.00 14792000.00
Tolcapone_1
2533800.00 839200.00 1130933.33
Tolcapone_2
1375333.33 814066.67 978200.00
Tramadol
30150.45 238941.50 24800.78
trans-Cinnamoyl beta-D-glucoside
886766.67 705466.67 1898389.33
Traumatic acid_1
16162400.00 16272200.00 14313066.67
Traumatic acid_2
7140933.33 616526.67 1199313.33
Triadimefon
2757180.00 2425926.67 2422000.00
Triadimenol
547426.67 703513.33 1277333.33
Tributyltin chloride_1
17001600.00 12751866.67 9750666.67
Tributyltin chloride_2
4369986.67 1669432.67 6028676.67
Tributyltin chloride_3
3070740.00 2373686.67 1255866.67
Tributyrin_1
3394333.33 1339933.33 1016100.00
Tributyrin_2
2466533.33 970353.33 1016100.00
Triethylene glycol diglycidyl ether_1
14970000.00 17406666.67 11618000.00
Triethylene glycol diglycidyl ether_2
2154900.00 701286.67 1701406.67
Triflumuron
1250588.00 734966.67 106898.67
Trimetaphosphoric acid
60854000.00 74280666.67 62639333.33
Trimethoprim
548363.33 60396.67 62415.33
Triticonazole
1808866.67 1467066.67 1451200.00
Tryptophan
4314666.67 3664533.33 5506000.00
Tuberonic acid glucoside_1
30575333.33 15195333.33 20114000.00
Tuberonic acid glucoside_2
20860000.00 17179666.67 26655333.33
Tuliposide B
3068000.00 2517933.33 3061333.33
Tussilagine
27415333.33 21826666.67 25336000.00
Umbelliferone
2948646.53 1826626.00 1436140.00
Ungeremine
1710606.67 2769133.33 1158993.33
Urate
762800000.00 691466666.67 797400000.00
Urate-3-ribonucleoside
3916400.00 3150933.33 3761200.00
Uridine
143553333.33 128253333.33 142953333.33
Valacyclovir
370993.33 410193.33 3790380.00
Vermelone
7350784.00 8956271.33 4348214.29
Verrucarin A
1825273.46 215242.00 611661.46
Versicolorin B
289598.67 283894.00 3256355.33
Versiconal
3249733.33 3123133.33 2430666.67
Vitexin_1
3647670.67 1335737.33 2984743.67
Vitexin_2
2717222.67 1120980.71 2501205.67
Xanthosine_1
11862000.00 10573333.33 9848000.00
Xanthosine_2
8862666.67 6397333.33 7298666.67
Zalcitabine
946773.33 976306.67 607580.00
Zinnimidine
4677.08 1304923.43 6547.00
Zizybeoside I
307826.67 287280.00 464393.33
Zoxazolamine
536400.00 377040.00 315953.33

Factors:

F1Treatment :Baseline urine
F2Treatment :Urine after drinking apple juice
F3Treatment :Urine after drinking cranberry juice
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