Data for ST000292   

(Analysis AN000466): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3
10,16-Dihydroxyhexadecanoic acid
672823.53 552117.65 569588.24
(10S)-Juvenile hormone III acid diol
2751.76 2969.41 2977.65
(10S)-Juvenile hormone III diol
3883.06 4052.94 3284.59
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-...
777294.12 967882.35 778588.24
11H-Benz[bc]aceanthrylene
7091764.71 7461176.47 7439411.76
11-Methoxy-vinorine
489935.88 55900.59 122250.59
1-(1-Oxopropyl)-1H-imidazole_1
1915529.41 1333294.12 1600882.35
1-(1-Oxopropyl)-1H-imidazole_2
868147.06 1052705.88 1016352.94
1,2,3-Trihydroxybenzene
57088235.29 76311764.71 63935294.12
1,2,6-Hexanetriol
6792941.18 7541176.47 6813529.41
1,2-Bis(chloromethoxy)ethane
677000.00 388000.00 671805.88
1,3,8-Naphthalenertriol
1319411.76 1237647.06 1260000.00
1,3-Dichloro-2-propanol
3714117.65 4536470.59 3481176.47
1,4^-Bipiperidine-1^-carboxylic acid_1
427500.00 305176.47 266670.59
1,4^-Bipiperidine-1^-carboxylic acid_2
314582.35 311131.76 215258.82
1,4^-Bipiperidine-1^-carboxylic acid_3
416500.00 265305.88 480152.94
14-Dihydroxycornestin
6965882.35 5030588.24 9685882.35
17beta-Methylestra-1,3,5(10)-trien-3-ol
1393352.94 1399823.53 1452000.00
1^-Acetoxychavicol acetate
21979.41 18240.00 17228.24
1^-Acetoxyeugenol acetate
989058.82 711705.88 938823.53
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
26435294.12 25852941.18 26223529.41
1-Aminocyclopropane-1-carboxylate_1
41682352.94 33082352.94 39482352.94
1-Aminocyclopropane-1-carboxylate_2
3708823.53 4046470.59 4417647.06
1-Dehydro-9-fluoro-11-oxotestololactone
628600.00 67254.38 195966.47
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
2593529.41 2826470.59 2606470.59
1-Methyladenosine
3336470.59 3087647.06 3474705.88
1-Octanal_1
1211176.47 1234117.65 1212941.18
1-Octanal_2
710588.24 724235.29 704176.47
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine
3554411.76 3041764.71 3366647.06
1-Oleoylglycerophosphocholine
173244.71 90211.76 155017.65
1-Pyrroline-2-carboxylate_1
4421176.47 4428235.29 4697058.82
1-Pyrroline-2-carboxylate_2
1773000.00 1824176.47 1878235.29
1-Pyrroline-2-carboxylate_3
1613000.00 1555647.06 1486764.71
21,22-Diprenylpaxilline_1
1066241.18 574117.65 613017.65
21,22-Diprenylpaxilline_2
138482.35 90718.82 154588.24
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran...
2524.38 2360.59 2419.38
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
636170.59 1193635.29 961341.18
2,3-Dihydroxybenzoate
331840.00 419907.14 360873.75
2,3-Dimethylmaleate_1
43911764.71 55164705.88 47800000.00
2,3-Dimethylmaleate_2
937764.71 917100.00 1171411.76
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose
371547.06 399647.06 395411.76
2,5-Dichloro-4-oxohex-2-enedioate
265647058.82 256529411.76 259941176.47
2,5-Dioxopentanoate
361529.41 360411.76 489000.00
2,5-Furandicarboxylate
10488.38 12830.59 20658.24
2,6-Diamino-7-hydroxy-azelaic acid
171240.38 78743.57 316053.57
2-Aceto-2-hydroxybutanoate
4026941.18 6074705.88 4724647.06
2-Amino-1,2-bis(p-chlorophenyl)ethanol
- 2150.00 -
2-Amino-9,10-epoxy-8-oxodecanoic acid_1
10212.94 5967.06 5241.18
2-Amino-9,10-epoxy-8-oxodecanoic acid_2
6798.82 3143.53 4064.12
2-Aminomuconate
1523764.71 1510000.00 1329470.59
2-Aminomuconate semialdehyde
485129.41 498411.76 462705.88
2-Aminophenol_1
1374941.18 1728588.24 1872235.29
2-Aminophenol_2
1049588.24 773270.59 1347976.47
2-(Biaryl)carbapenems
440411.76 454117.65 473235.29
2^-Dehydrokanamycin A
3048.00 2326.67 1193.75
2^-DEOXYGUANOSINE
4187352.94 6004117.65 7166647.06
2-Ethylhexyl phthalate_1
5354705.88 5336470.59 5158823.53
2-Ethylhexyl phthalate_2
697117.65 666529.41 676235.29
2-Ethylhexyl phthalate_3
263723.53 240682.35 314888.24
2-Furoate_1
1922823.53 2304352.94 2207823.53
2-Furoate_2
1457764.71 1312000.00 2852288.24
2-Hydroxy-1,4-benzoquinone
2482529.41 2177823.53 2329411.76
2-Hydroxy-2,4-pentadienoate_1
14868235.29 20029411.76 19272941.18
2-Hydroxy-2,4-pentadienoate_2
396517.65 632058.82 534647.06
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine
893941.18 772664.71 1034795.29
2-Hydroxycyclohexan-1-one_1
2555294.12 2551764.71 2536470.59
2-Hydroxycyclohexan-1-one_2
503411.76 479882.35 540647.06
2-Hydroxycyclohexan-1-one_3
383000.00 440411.76 391941.18
2-Hydroxymethylclavam_1
33082352.94 36541176.47 34435294.12
2-Hydroxymethylclavam_2
7911764.71 5942941.18 7622352.94
2-Hydroxypyridine
463577.65 912711.76 739687.65
2-(Methylthio)ethanesulfonate
43252.35 30911.18 43985.29
2-Naphthylamine_1
12348823.53 14300000.00 13161176.47
2-Naphthylamine_2
1146588.24 1105411.76 1143235.29
2-Oxobutanoate_1
17370588.24 21817647.06 19329411.76
2-Oxobutanoate_2
3390588.24 2989411.76 3271764.71
2-Oxooctadecanoic acid_1
2747294.12 1946705.88 2299823.53
2-Oxooctadecanoic acid_2
2272352.94 1755294.12 2107058.82
2-Phenylacetamide_1
27135294.12 27829411.76 27788235.29
2-Phenylacetamide_2
298123.53 132486.47 253070.00
3-(2-Hydroxyphenyl)propanoate_1
4290000.00 3935294.12 3872352.94
3-(2-Hydroxyphenyl)propanoate_2
264198.24 30593.53 270016.47
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]...
1944705.88 1918823.53 1882941.18
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]...
116858.82 113217.65 146588.24
3,3^-Dimethylbisphenol A
486922.35 379294.12 444317.65
3,4-Dihydroxy-L-phenylalanine_1
1570117.65 1069529.41 1674823.53
3,4-Dihydroxy-L-phenylalanine_2
290968.24 120395.88 225091.76
3,4-Dihydroxymandelate_1
92186.43 646237.33 83244.00
3,4-Dihydroxymandelate_2
135604.44 238116.36 108707.00
3,4-Dihydroxyphthalate
377270.59 845911.76 1078491.76
3,4-Methylenedioxymethamphetamine
29894117.65 29170588.24 29647058.82
3-AMINO-4-HYDROXYBENZOIC ACID
125694.12 89670.59 90529.41
3-Aminopropanesulfonate
25161.18 25498.82 74323.53
(3-Arylcarbonyl)-alanine
2982352.94 2348235.29 2482941.18
3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amin...
1691220.00 1852.50 302000.00
3-Buten-1-amine
113405882.35 118717647.06 120458823.53
3-Butylidene-7-hydroxyphthalide
1454705.88 1363529.41 1302941.18
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
88652941.18 86800000.00 88788235.29
3-(Dimethylamino)propyl benzoate_1
1533647.06 1512647.06 1419352.94
3-(Dimethylamino)propyl benzoate_2
423123.53 264511.76 603570.59
3-(Dimethylamino)propyl benzoate_3
134505.88 142064.71 98212.35
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1
392505.88 729388.24 719311.76
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2
177435.88 88817.06 90796.47
3-Fluoro-cis,cis-muconate
523741.76 561603.53 510398.24
3-Hydroxyhexobarbital
1640.00 1826.67 1772.86
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1
105164.71 93970.59 88688.24
3-(Imidazol-4-yl)-2-oxopropyl phosphate_2
108876.47 135617.65 100205.88
3-Isopropylcatechol_1
165411.76 151705.88 154147.06
3-Isopropylcatechol_2
105958.24 95988.24 184011.76
3-Mercaptolactate
464305.88 544529.41 542764.71
3-Methyl-2-oxobutanoic acid_1
55788235.29 64205882.35 58094117.65
3-Methyl-2-oxobutanoic acid_2
2131470.59 3838117.65 3408764.71
3-METHYLADENINE
180614.71 267950.00 551826.47
3-Methyldioxyindole
2103371.18 943066.47 1730037.65
3-Methyleneoxindole_1
8337647.06 6467647.06 8262352.94
3-Methyleneoxindole_2
8569411.76 5238235.29 8025294.12
3-Methyleneoxindole_3
581276.47 670847.06 876647.06
3-Methylguanine_1
2638235.29 2887058.82 3367647.06
3-Methylguanine_2
132046.47 127029.41 143217.65
3-(Methylthio)propanoate
975158.82 346870.59 947470.59
3-Oxalomalate
129264.71 168617.65 125770.59
3-Oxo-5beta-cholanate_1
223835.29 199069.41 224323.53
3-Oxo-5beta-cholanate_2
149903.53 138205.88 116729.41
3-Oxododecanoic acid_1
541000.00 514647.06 514000.00
3-Oxododecanoic acid_2
552882.35 306970.59 449058.82
3-Oxohexobarbital
1880.00 2460.00 1950.00
(3S,5S)-Carbapenam-3-carboxylic acid
262676.47 259588.24 306447.06
3-Sulfocatechol
1997705.88 2197058.82 2408235.29
3-tert-Butyl-5-methylcatechol
228764.71 207235.29 212652.94
3-UREIDOPROPIONATE
373570.59 424352.94 405941.18
4,8-Dihydroxyquinoline_1
604411.76 487294.12 542823.53
4,8-Dihydroxyquinoline_2
245229.41 303617.65 2073117.65
4-ACETAMIDOBUTANOATE
473235.29 348235.29 439052.94
4-Acetamidobutanoate_1
32918823.53 15504294.12 28290588.24
4-Acetamidobutanoate_2
3878823.53 3359058.82 3922941.18
4-Acetamidobutanoate_3
3405294.12 2785882.35 3002941.18
4-Acetamidobutanoate_4
1180352.94 791705.88 1085764.71
4a-Hydroxytetrahydrobiopterin
33731.88 130036.47 27614.12
4-Amino-1-piperidinecarboxylic acid
1504882.35 687494.12 1356058.82
4-Amino-2-hydroxylamino-6-nitrotoluene
6057058.82 4576647.06 5815235.29
4-Aminobiphenyl
1307411.76 1187529.41 1217000.00
4-AMINOBUTANOATE
42147058.82 47282352.94 47400000.00
4-Aminobutyraldehyde_1
3750000.00 3584705.88 3769411.76
4-Aminobutyraldehyde_2
2079764.71 1462529.41 1904000.00
4-Carboxy-4-hydroxy-2-oxoadipate
621411.76 607823.53 566000.00
4-Chloroacetanilide
25793.12 47794.38 93275.29
4-Dodecylphenol_1
2007588.24 966764.71 1763058.82
4-Dodecylphenol_2
456776.47 524529.41 363752.94
4-Fluorocyclohexadiene-cis,cis-1,2-diol
5403529.41 5379411.76 5707647.06
4-Fluoro-L-threonine
2204.00 2603.33 1980.00
4-Guanidinobutanal
48029411.76 33135294.12 43652941.18
4-Guanidinobutanoate
6240588.24 7140000.00 6224705.88
4-GUANIDINOBUTANOATE
3458823.53 5292352.94 5622941.18
4-Hexyloxyphenol
547941.18 510176.47 884823.53
4-Hydroxy-2-butynal_1
38547058.82 48511764.71 41323529.41
4-Hydroxy-2-butynal_2
4028235.29 3471764.71 3957058.82
4-Hydroxy-2-quinolinecarboxylic acid
550352.94 597058.82 562000.00
4-Hydroxybutanoic acid_1
3733823.53 1666529.41 2759294.12
4-Hydroxybutanoic acid_2
273947.06 635294.12 351352.94
4-HYDROXY-L-PHENYLGLYCINE
765647.06 1172588.24 815647.06
4-Hydroxyphenylacetate
231352.94 340470.59 233270.59
4-IMIDAZOLEACETIC ACID
1077176.47 1119470.59 1119529.41
4-Imidazolone-5-propanoate
2025823.53 2398764.71 2372705.88
4-Maleylacetoacetate
1869588.24 2893529.41 2790000.00
4-Methyl-2-oxopentanoate
1640529.41 1720588.24 1834705.88
4-Methylene-L-glutamate
253352.94 421235.29 417805.88
4-Methylene-L-glutamine_1
8390000.00 6517647.06 6863529.41
4-Methylene-L-glutamine_2
4990000.00 6688235.29 6969411.76
4-Methylene-L-glutamine_3
492882.35 323670.59 493294.12
4-Oxoproline_1
57817647.06 60364705.88 60105882.35
4-Oxoproline_2
4517058.82 4396764.71 5737058.82
4-Pyridoxate
251670.59 234352.94 271882.35
4-Vinylcyclohexene_1
1138235.29 1153529.41 1143529.41
4-Vinylcyclohexene_2
229747.06 272647.06 256764.71
4-Vinylcyclohexene_3
207647.06 223529.41 199629.41
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
3203235.29 2268058.82 2724294.12
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1
3119588.24 3236823.53 2867941.18
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2
602776.47 586588.24 557352.94
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3
450370.59 370170.59 395109.41
5-(2-Hydroxyethyl)-4-methylthiazole_1
1310.00 9270.00 622671.80
5-(2-Hydroxyethyl)-4-methylthiazole_2
40674.29 392164.00 2145365.71
5,6-Dihydrothymine_1
32311764.71 34970588.24 34529411.76
5,6-Dihydrothymine_2
5618823.53 5512941.18 5552352.94
5,6-Dihydrothymine_3
1675411.76 1418764.71 1790823.53
5,6-Dihydrouracil
2337882.35 2800117.65 3646882.35
5,6-DIHYDROURACIL
5437058.82 6005882.35 5535294.12
5-Acetamidopentanoate_1
8422941.18 8183529.41 8868823.53
5-Acetamidopentanoate_2
5323529.41 4222352.94 4590588.24
5-Acetamidopentanoate_3
3194411.76 3302941.18 3299117.65
5-Acetamidopentanoate_4
2932764.71 1933294.12 2667941.18
5-Acetamidopentanoate_5
1138352.94 963647.06 1289235.29
5-Acetamidopentanoate_6
448170.59 309970.59 372252.94
5-Acetamidopentanoate_7
536346.47 332088.24 247594.12
5-Aminolevulinate_1
116541176.47 108671176.47 129948823.53
5-Aminolevulinate_2
21905294.12 16379411.76 29391529.41
5-Aminolevulinate_3
699235.29 1122529.41 2761117.65
5-Aminolevulinate_4
491058.82 572723.53 559605.88
5-AMINOLEVULINIC ACID
5310588.24 7240588.24 6168235.29
5-AMINOPENTANOATE
1323529411.76 1378235294.12 1393176470.59
5beta-Scymnol sulfate
171475.33 59164.71 63830.00
5-exo-Hydroxy-1,2-campholide
224764.71 231741.18 234905.88
5-Guanidino-3-methyl-2-oxopentanoate
4142941.18 2038882.35 4017647.06
5-Hydroxyindoleacetate
1336352.94 1341588.24 1399294.12
5-Hydroxyindoleacetylglycine
351429.41 970323.53 936676.47
5-Hydroxyisourate_1
983588.24 1204058.82 1049235.29
5-Hydroxyisourate_2
2885.94 2247.06 2936.71
5-Hydroxy-L-tryptophan_1
8005882.35 8370000.00 11332352.94
5-Hydroxy-L-tryptophan_2
7330000.00 5222352.94 7012352.94
5-Hydroxy-L-tryptophan_3
4557058.82 4215294.12 5949411.76
5-Hydroxy-L-tryptophan_4
1245.00 1460.00 -
5^-Methylthioadenosine
2920.00 2250.00 3963.33
5-Methylthio-D-ribose
1140647.06 1290117.65 1269882.35
5-O-Methyl-myo-inositol
67948811.76 51961294.12 50423000.00
5-Oxoavermectin ^^1a^^ aglycone
232588.24 211194.12 234158.82
5-OXO-L-PROLINE
54323529.41 62211764.71 66376470.59
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...
1972352.94 1832352.94 1850588.24
5-Ureido-4-imidazole carboxylate
853500.00 958058.82 5064117.65
5-Valerolactone_1
1794529.41 2437647.06 2136470.59
5-Valerolactone_2
1484823.53 1399764.71 1549235.29
5-Valerolactone_3
631823.53 922235.29 687947.06
6-DEOXY-L-GALACTOSE
73676470.59 74264705.88 74429411.76
6-endo-Hydroxycineole_1
5612352.94 5787058.82 5683529.41
6-endo-Hydroxycineole_2
887588.24 840823.53 908235.29
6-Hydroxyprotopine
- - 1570.00
6-Hydroxypseudooxynicotine
79723.00 1363.33 1335.83
6-Methoxymellein
367231.18 162883.53 337111.76
6-Methylmercaptopurine
138001.18 320200.00 393464.71
(6S,9R)-Vomifoliol
378394.12 236758.82 358823.53
(6Z,9Z,12Z)-Octadecatrienoic acid_1
3634176.47 1812764.71 2972647.06
(6Z,9Z,12Z)-Octadecatrienoic acid_2
1175235.29 859294.12 1059294.12
7-Dehydrodesmosterol
416711.76 300794.12 1484323.53
8-Amino-7-oxononanoate_1
3001352.94 2170588.24 2831352.94
8-Amino-7-oxononanoate_2
856941.18 782764.71 823882.35
8-Amino-7-oxononanoate_3
274529.41 320764.71 423176.47
8-Hydroxyalanylclavam
30365.00 28490.00 8145.00
(8Z,11Z,14Z)-Icosatrienoic acid
261296.47 108085.88 148670.59
9,12,13-TriHOME_1
3614705.88 3412941.18 3604705.88
9,12,13-TriHOME_2
2851764.71 2662352.94 2805882.35
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione
2217000.00 427647.06 1004529.41
9-Oxononanoic acid
3468.82 3480.59 3067.65
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1
2554705.88 1975294.12 2102352.94
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2
1195588.24 1083000.00 968411.76
(9Z)-Hexadecenoic acid_1
536941.18 437647.06 468117.65
(9Z)-Hexadecenoic acid_2
1406058.82 401823.53 655941.18
(9Z)-Hexadecenoic acid_3
320470.59 182300.00 250741.18
(9Z)-Octadecenoic acid
242294.12 186323.53 329717.65
Abietate
384641.18 243947.06 275052.94
Abscisate_1
789352.94 495022.94 650947.06
Abscisate_2
2081.24 2313.47 2507.29
Acetone cyanohydrin_1
20429411.76 16692941.18 17583529.41
Acetone cyanohydrin_2
2713529.41 2475882.35 2418823.53
Acetone cyanohydrin_3
1955470.59 1728823.53 1800235.29
Acetylcysteine
2031294.12 964100.00 1613705.88
Acridine
229047.06 180892.94 153111.76
Adenine
321517.65 450029.41 503529.41
ADENINE
990347.06 1450411.76 1552647.06
Adifoline
585941.18 469705.88 564411.76
Allamandin
- - -
ALLANTOIN
5762352.94 5714705.88 6904117.65
Allophanic acid methyl ester
180535.29 164829.41 216923.53
ALPHA-AMINOADIPATE
1685470.59 1440235.29 1528823.53
alpha,beta-Didehydrotryptophan
2057058.82 2282352.94 2966470.59
alpha-EMTBL_1
182276.47 90310.59 186134.12
alpha-EMTBL_2
141547.06 53079.41 126560.00
alpha-Erythroidine
707129.41 530370.59 476064.71
alpha-Oxo-benzeneacetic acid
891976.47 805394.12 611994.12
alpha-Sinensal_1
3974117.65 3855882.35 3770000.00
alpha-Sinensal_2
638882.35 762000.00 635235.29
alpha-Sinensal_3
328235.29 314764.71 323411.76
alpha-Sinensal_4
215000.00 197247.06 209352.94
alpha-Tocopherol
2314074.29 420899.41 1208110.67
AMPA_1
2252411.76 3000588.24 3205117.65
AMPA_2
135176.47 99776.47 96917.65
Ampicillin
6760000.00 2490.00 -
Ancitabin hydrochloride
10410588.24 10427647.06 9665294.12
Androsterone glucuronide
9656.00 17039.00 1090.00
Aniflorine
1632470.59 1484176.47 1461352.94
Anthranilate
6401176.47 5441176.47 5370000.00
Apiole_1
8059411.76 7305588.24 9550941.18
Apiole_2
737764.71 665294.12 691705.88
Apoatropine_1
84021.67 1850.00 9780.00
Apoatropine_2
1403261.00 1681.43 52000.00
Apraclonidine
2970.00 1415.00 5163.33
Arachidonate
3175823.53 2155176.47 2509352.94
Arbutin
193493.00 20131.70 34475.00
Aristolochic acid
2738235.29 3522941.18 3424705.88
Aromatic aldehyde_1
3299857.65 1308061.76 2485070.59
Aromatic aldehyde_2
1417882.35 1447058.82 1521176.47
Aromatic aldehyde_3
518529.41 501764.71 618117.65
Aromatic aldehyde_4
438529.41 366058.82 471764.71
Aromatic aldehyde_5
159777.06 143170.59 215058.82
Austrobailignan 1
20794117.65 21541176.47 20723529.41
Azelaic acid
525000.00 553647.06 557352.94
Bakkenolide A
4756470.59 4634117.65 4503529.41
Batrachotoxin
520438.24 576352.94 581200.00
Beclomethasone
84696.47 395547.06 49847.06
Benzoate
4651176.47 4592941.18 4690000.00
Benzofuran_1
2521176.47 2141176.47 2492352.94
Benzofuran_2
1112647.06 1259588.24 1092176.47
Benzyl alcohol
209717.65 211635.29 218764.71
Benzyl nicotinate
1242.50 1200.00 1120.00
Bergaptol_1
1458882.35 1446352.94 1563235.29
Bergaptol_2
19429.17 7570.00 59185.82
BETA-ALANINE
60605882.35 76858823.53 62570588.24
beta-Carboline_1
19772352.94 16952352.94 18120000.00
beta-Carboline_2
2207647.06 2667647.06 2592352.94
beta-Carboline_3
634223.53 532176.47 788176.47
beta-Carboline_4
581529.41 547529.41 617823.53
BETAINE
437882352.94 473764705.88 469941176.47
Betamethasone
1366000.00 1286058.82 1280411.76
Bilirubin
853790.00 764047.06 1084523.53
Bis(2-chloroethyl)ether_1
530694.12 402235.29 515705.88
Bis(2-chloroethyl)ether_2
98847.06 25811.18 95030.59
Bombykal
362761.76 72964.71 125955.88
Boschnialactone_1
229058.82 287588.24 281117.65
Boschnialactone_2
261629.41 276235.29 272470.59
Botrydial_1
4294705.88 4100000.00 4204705.88
Botrydial_2
316470.59 292352.94 311294.12
Buddledin A_1
1949411.76 1827647.06 1917647.06
Buddledin A_2
1819411.76 1720588.24 1670588.24
Buddledin A_3
1730000.00 1638823.53 1677058.82
Buprenorphine
9492647.06 6506470.59 6310588.24
Burseran
599058.82 487764.71 601764.71
C20913
349294.12 309941.18 348705.88
Calcitriol
242055.33 116285.00 39762.00
Calcium salicylate
7002352.94 9442352.94 6294117.65
Callytriol C
6317176.47 5139470.59 6596294.12
Calystegin B2_1
5089823.53 2568823.53 4444705.88
Calystegin B2_2
581941.18 537235.29 560447.06
Calystegin B2_3
191804.12 112295.88 193421.76
Calystegin B2_4
22093.53 40797.65 91082.94
(+)-Camphor_1
700888.24 279241.18 566564.71
(+)-Camphor_2
345805.88 265617.65 299329.41
(+)-Camphor_3
147105.88 152947.06 131558.82
Carbamazepine
2080.00 - 1622.50
Carbamorph
10289.29 5928.00 2129.38
Carpacin
356721.76 25616.47 70194.35
Castanospermine_1
3932764.71 2667176.47 3407647.06
Castanospermine_2
504411.76 422605.88 439276.47
Castanospermine_3
51530.59 105147.06 60541.18
Catechol_1
7073529.41 9080588.24 7844117.65
Catechol_2
290788.24 459388.24 551864.71
CCCP
3208823.53 3896470.59 2978823.53
Cerulenin
227627.06 207976.47 241629.41
Chloromethiuron
13594117.65 13847058.82 13600000.00
Chrysoidine free base
37641.18 31500.00 38887.06
Cidofovir
3305882.35 3100588.24 2992941.18
Cilastatin
576134.71 108554.71 210129.41
Cinnamaldehyde
86041.76 142982.35 87677.06
cis-1,2-Dihydro-3-ethylcatechol_1
325705.88 329882.35 388529.41
cis-1,2-Dihydro-3-ethylcatechol_2
130594.12 121635.29 150182.35
cis-1,2-Dihydronaphthalene-1,2-diol_1
494352.94 520882.35 450294.12
cis-1,2-Dihydronaphthalene-1,2-diol_2
98405.88 89023.53 89517.65
cis-1,2-Dihydronaphthalene-1,2-diol_3
73582.35 78917.65 88523.53
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
4437.06 4068.24 3984.71
cis-2-Carboxycyclohexyl-acetic acid_1
141529.41 132323.53 102441.18
cis-2-Carboxycyclohexyl-acetic acid_2
123441.18 130752.94 113300.00
cis-Aconitate
20375.29 32922.94 39715.88
CITRATE
60400.59 76135.29 106623.53
CITRULLINE
25000000.00 19458823.53 19672941.18
CMN 131
734529.41 677117.65 687823.53
Coenzyme B
913941.18 1217882.35 1322411.76
(-)-Columbianetin
2045.00 1763.33 1841.67
Coniferyl alcohol_1
1785470.59 1641411.76 2091823.53
Coniferyl alcohol_2
285341.18 146549.41 176982.35
Corticosterone
73599.41 139036.18 65013.53
Cortisol
6587647.06 5810000.00 6208235.29
Cortisone
844941.18 778294.12 1746470.59
Coumarin_1
1985882.35 1951176.47 1974294.12
Coumarin_2
39695.29 37807.65 48641.76
Creatine
1122294.12 1135117.65 1015411.76
CREATINE
359470588.24 513411764.71 379176470.59
CREATININE
624764705.88 666764705.88 647235294.12
Crotanecine_1
2344294.12 3004941.18 3727058.82
Crotanecine_2
3838.82 3115.29 20957.65
Cucurbic acid_1
336058.82 319529.41 332058.82
Cucurbic acid_2
248352.94 245058.82 234829.41
Cucurbic acid_3
112047.06 112964.71 119547.06
Cucurbitine_1
13899411.76 8817058.82 12858235.29
Cucurbitine_2
7622352.94 3932352.94 7733529.41
Cumene
497705.88 557035.29 618929.41
Cycasin_1
7255.88 4803.65 14188.12
Cycasin_2
3196.47 2357.06 2801.18
Cycloheptanecarboxylic acid_1
319000.00 387823.53 341058.82
Cycloheptanecarboxylic acid_2
241082.35 422464.71 240058.82
Cycloheptanecarboxylic acid_3
192529.41 239658.82 208294.12
Cyclohexane-1,3-dione_1
9134705.88 9208823.53 9377647.06
Cyclohexane-1,3-dione_2
4501176.47 3236470.59 6517647.06
Cyclohexane-1,3-dione_3
617352.94 511529.41 545823.53
Cyclohexanone
529776.47 546452.94 511011.76
Cyclohexylamine_1
260705.88 335823.53 357235.29
Cyclohexylamine_2
316941.18 400929.41 425935.29
Cyphenothrin
2399823.53 433576.47 1149647.06
CYTIDINE
1079252.94 2302617.65 4093600.00
Cytosine_1
301411.76 282270.59 321176.47
Cytosine_2
1055441.18 2489182.35 3892752.94
Daimuron
48893.29 225473.65 17538.82
D-Alanyl-D-alanine_1
337805.29 109101.18 454937.50
D-Alanyl-D-alanine_2
290652.94 270382.35 408882.35
D-(-)-ARABINOSE
7154705.88 7941764.71 7375294.12
Debrisoquin
201448.24 150379.33 2292.35
Deethylatrazine
164676470.59 153529411.76 160235294.12
Dehydroalanine_1
3258235.29 3600000.00 3747647.06
Dehydroalanine_2
889000.00 698411.76 728823.53
Dehydroalanine_3
1047717.65 376017.65 756805.88
Dehydroalanine_4
215705.88 268400.00 313717.65
delta-Guanidinovaleric acid_1
1563941.18 1623647.06 1345470.59
delta-Guanidinovaleric acid_2
111703.53 101599.41 157021.76
DEOXYCARNITINE
40982352.94 49035294.12 52235294.12
Deoxycytidine
642606.47 696411.76 390094.12
Deoxyvasicinone
3542941.18 2261588.24 3259588.24
D-GLUCONO-1,5-LACTONE
2714411.76 1599764.71 2006470.59
D-Glucosamine
205310.59 315262.94 568332.94
D-(+)-GLUCOSAMINE
3229411.76 4091764.71 3398235.29
D-Glucose_1
45865217.65 47332823.53 40673176.47
D-Glucose_2
22129294.12 17613588.24 14421058.82
Diacetyl_1
25785882.35 13308235.29 19945294.12
Diacetyl_2
3444117.65 4801176.47 3878235.29
Diacetyl_3
944882.35 1305352.94 1054470.59
Diethanolamine
837000.00 999058.82 863235.29
Diethyl 2-methyl-3-oxosuccinate
130935.29 172458.82 211870.59
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_1
3141.76 3460.62 3790.00
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_2
4136.00 8798.82 15992.86
Diethylene glycol_1
1605294.12 1622941.18 1421176.47
Diethylene glycol_2
201647.06 217470.59 200117.65
Diethyl sulfate
310862.94 147168.75 186716.25
Diethylthiophosphoric acid
925000.00 1018705.88 841176.47
Digallate
377490.00 327027.78 239143.33
Dihydro-4,4-dimethyl-2,3-furandione
36035294.12 39741176.47 39876470.59
Dihydroclavaminic acid_1
434000.00 569058.82 504411.76
Dihydroclavaminic acid_2
40588.24 26493.53 40009.24
Diisopropyl phosphate
346829.41 283129.41 238294.12
Diisopropyl phthalate_1
4139882.35 3450588.24 4499764.71
Diisopropyl phthalate_2
4351.76 3626.47 3281.76
Dikegulac
277223.53 223211.76 339470.59
Diltiazem
6473.33 5063.75 4406.00
Dimethachlor_1
1444764.71 1101411.76 1200000.00
Dimethachlor_2
2541.43 2236.00 1904.44
Dimethylcarbamoyl chloride
827705.88 1116705.88 833294.12
Dimethylenetriurea
3529.06 3034.50 4806.67
Dinotefuran
3350000.00 3360000.00 3085294.12
Diphenhydramine
2819485.00 1460.00 21088.57
Distigmine
6652.50 6275.00 -
D-Lysopine_1
328135.29 179535.29 304588.24
D-Lysopine_2
57025.88 33395.29 51985.88
D-Lysopine_3
12305.71 13216.88 30822.31
D-Octopine_1
223552.35 55057.65 59470.59
D-Octopine_2
18724.67 55354.12 48100.62
Dodecanamide
416941176.47 414823529.41 414352941.18
Dodemorph
7938235.29 8086470.59 7661764.71
D-Ribose
994823.53 662941.18 683235.29
D-SORBITOL
3705117.65 4762235.29 1967411.76
dUMP
7779411.76 10147647.06 7331176.47
D-Xylonate
1600117.06 1071476.47 1185007.06
(E)-4-(Trimethylammonio)but-2-enoate_1
231011764.71 178776470.59 214970588.24
(E)-4-(Trimethylammonio)but-2-enoate_2
4501588.24 3384117.65 3940000.00
(E)-4-(Trimethylammonio)but-2-enoate_3
3173588.24 2731764.71 2905294.12
(E)-4-(Trimethylammonio)but-2-enoate_4
960235.29 952588.24 786588.24
(E)-4-(Trimethylammonio)but-2-enoate_5
111694.12 349888.24 4935802.94
Ectoine
3177647.06 2609470.59 3303000.00
EDTA
3474.00 3660.00 5618.57
Emedastine
4400.00 1747.50 1300.00
epsilon-Caprolactam_1
17470588.24 18411764.71 17729411.76
epsilon-Caprolactam_2
2704117.65 2328235.29 2418823.53
Estradiol-17beta 3-sulfate
13608.24 14049.41 10144.71
Ethosuximide_1
1284176.47 1108411.76 1232882.35
Ethosuximide_2
1127235.29 932058.82 978764.71
Ethosuximide_3
669364.71 761882.35 724588.24
Ethosuximide_4
369347.06 371070.59 370029.41
Ethosuximide_5
292588.24 260152.94 319458.82
Ethyl cinnamate
3275.29 2818.24 4485.29
Ethyl tiglate
197900.00 155700.00 181811.76
Etidronic acid
1150235.29 761058.82 1069588.24
Etodolac
5035058.82 5635294.12 4896470.59
Etomidate
387868.24 290341.18 596817.65
Euxanthone
28029411.76 31976470.59 26358823.53
Fagomine_1
11465882.35 7324117.65 12093529.41
Fagomine_2
8450000.00 9192352.94 8981176.47
Fagomine_3
7000588.24 5947058.82 7708823.53
Fagomine_4
4152941.18 2608352.94 4302352.94
Fasoracetam
2846000.00 2347647.06 3157058.82
Fenoldopam
1651805.88 1408147.06 1726270.59
Fenpropathrin
1814337.65 68782.35 278358.82
Feruloylputrescine
996356.47 561870.59 1160574.12
Fexofenadine_1
10650411.76 5403058.82 8957294.12
Fexofenadine_2
2970352.94 2450058.82 4748235.29
Fexofenadine_3
2040470.59 1668058.82 1559882.35
Fexofenadine_4
359776.47 640929.41 802576.47
Flumethasone
1390.00 1495.00 1220.00
Fluorene
4902885.88 12062.35 1278622.94
Fuberidazole
650311.76 448182.35 450111.76
Fumarate
697705.88 665470.59 676823.53
Furathiocarb
395911.76 85047.06 165952.94
Furfural diethyl acetal_1
1141882.35 1304823.53 1235588.24
Furfural diethyl acetal_2
156994.12 152123.53 176823.53
Furfuryl alcohol
22288235.29 26617647.06 23647058.82
Furmecyclox
293190.00 140850.00 339561.00
gamma-Coniceine
6688235.29 6345294.12 6252941.18
Glutarate_1
6418235.29 7700588.24 7070000.00
Glutarate_2
1635588.24 1874705.88 1353294.12
Glutarate_3
559176.47 781235.29 711588.24
Glutathione
7998823.53 7711764.71 7743529.41
(-)-Glyceollin I
38822.94 62039.41 105802.35
Glycerol
7211764.71 5515294.12 9663529.41
GLYCEROL
16054705.88 12776470.59 21106470.59
Glycerone_1
538411.76 803647.06 443529.41
Glycerone_2
658000.00 776647.06 707235.29
Glycidyl oleate
337835.29 435317.65 323247.06
Glycine
1455176.47 1557117.65 1338294.12
GLYCINE
3103117.65 3385470.59 3056235.29
Glycocholate
1037135.29 1889223.53 1594117.65
Glycodeoxycholate_1
1861411.76 3743176.47 3321352.94
Glycodeoxycholate_2
379117.65 327958.82 401541.18
Glycyl-leucine_1
502841.18 300481.76 438064.71
Glycyl-leucine_2
330400.00 203558.82 380929.41
Glycyl-leucine_3
166305.88 125898.82 184036.47
Glycyl-leucine_4
112289.41 131605.88 206300.00
Glycyl-leucine_5
94855.88 128131.18 190800.00
Glycyrrhetinate
44785.22 430855.00 13213.15
Guanfacine
- - -
GUANIDINOACETATE
4174705.88 4560000.00 4373529.41
GUANINE
4115235.29 5281588.24 5254882.35
GW 1929
1700.00 1153.33 1150.00
Gymnodimine
1074923.53 810235.29 826823.53
Hercynine
374235.29 360588.24 376764.71
Hetacillin
2020780.00 1620.00 -
Hexylamine
11006470.59 10902941.18 10903529.41
Hippurate
19283529.41 21549411.76 131282352.94
Histamine
7610588.24 5232941.18 6875882.35
HISTAMINE
323235.29 368470.59 309882.35
Homogentisate
581799.41 3271115.88 463291.25
Homostachydrine_1
2952941.18 3342352.94 3680588.24
Homostachydrine_2
1378117.65 1421941.18 1675882.35
Homostachydrine_3
236247.06 232011.76 228491.18
Homostachydrine_4
169190.59 250210.59 130188.24
Homostachydrine_5
75272.94 131778.24 937176.47
Hydrocortisone succinate
403713.85 772250.77 258632.00
Hypaphorine
8478235.29 8179294.12 9666470.59
Hypoxanthine
23423529.41 26235294.12 23966470.59
HYPOXANTHINE
69117647.06 67864705.88 57317647.06
Imidacloprid
- - -
IMP
- 2330.00 -
Indan-1-ol
203058.82 176494.12 177741.18
Indole_1
1387294.12 1351176.47 1378705.88
Indole_2
528687.06 237114.12 493989.41
Indole_3
330864.71 390129.41 2584117.65
Indole-3-acetaldehyde_1
1316470.59 1343529.41 1306588.24
Indole-3-acetaldehyde_2
2221047.06 458129.41 2140817.65
Indole-3-acetaldehyde_3
295294.12 386411.76 396447.06
Indole-3-acetate_1
11478235.29 11141176.47 12477647.06
Indole-3-acetate_2
508235.29 497776.47 666529.41
Indole_4
202464.71 121564.71 193117.65
Indole-5,6-quinone
1175582.35 837570.59 954411.76
Indolelactate_1
3457058.82 3634705.88 3895294.12
Indolelactate_2
2313529.41 3141764.71 3354823.53
Indospicine_1
2231235.29 2301529.41 2366823.53
Indospicine_2
144856.25 162185.33 266830.00
Inosine
8354705.88 9075294.12 8468823.53
Isobutyronitrile_1
8430000.00 10616470.59 9162352.94
Isobutyronitrile_2
2005823.53 1461882.35 1914411.76
Isobutyronitrile_3
285458.82 123986.47 171245.29
Isoquinoline_1
2094705.88 2103529.41 2057647.06
Isoquinoline_2
2281641.18 1998737.06 2193641.18
Isoquinoline_3
1362411.76 1365647.06 1506176.47
Isoquinoline_4
970588.24 998000.00 843823.53
Isoquinoline_5
437235.29 390000.00 459235.29
Isoquinoline_6
339235.29 346764.71 417370.59
Isoquinoline_7
194500.00 249511.76 250111.76
Isovalerylcarnitine
3631176.47 3845882.35 5241176.47
Istamycin C1
2090000.00 1886882.35 1683941.18
Janthitrem C_1
1506300.00 1481705.88 1674529.41
Janthitrem C_2
145310.00 81694.12 140900.00
(-)-Jasmonic acid
128548.24 73377.65 367236.47
L-2,3-Dihydrodipicolinate
21619.33 1694489.41 276105.88
L-2,4-Diaminobutanoate
726882.35 493270.59 875823.53
L-2-Aminoadipate_1
4820588.24 3178235.29 2116882.35
L-2-Aminoadipate_2
1457823.53 1754117.65 1726529.41
L-Alanine
4883529.41 5970000.00 4905882.35
L-Albizziine_1
1188000.00 1237705.88 1239235.29
L-Albizziine_2
394235.29 280235.29 460652.94
L-ALLOTHREONINE
6176470.59 6918235.29 8043529.41
L-ARGININE
62688235.29 63588235.29 62076470.59
L-Asparagine
125467.65 69216.41 30012.94
L-ASPARAGINE
3138235.29 3251764.71 2871176.47
L-Aspartate
481764.71 497294.12 424529.41
L-Aspartate 4-semialdehyde_1
5825705.88 5795000.00 5054058.82
L-Aspartate 4-semialdehyde_2
4449411.76 5052352.94 4215882.35
L-Aspartate 4-semialdehyde_3
649576.47 456600.00 369547.06
L-CARNITINE
460294117.65 496058823.53 529117647.06
L-Cysteate
6700588.24 7623529.41 6223529.41
L-CYSTEIC ACID
759176.47 638352.94 748117.65
LEUCINE
1732941176.47 1629411764.71 1737058823.53
Levetiracetam_1
6575294.12 4775882.35 5482941.18
Levetiracetam_2
5252941.18 4047058.82 4808823.53
Levetiracetam_3
548141.18 542511.76 528358.82
Levetiracetam_4
887694.12 388971.76 882382.35
L-Glutamate
164578.82 58252.94 205639.41
L-GLUTAMINE
200294117.65 210176470.59 208764705.88
L-Histidine
5127411.76 3450000.00 4279529.41
L-HISTIDINE
46776470.59 48029411.76 46123529.41
L-Histidinol_1
5683058.82 5017223.53 6589941.18
L-Histidinol_2
490919.41 281311.76 482170.59
Lichenin
38917647.06 45535294.12 41076470.59
(-)-Limonene_1
1245294.12 982588.24 1543117.65
(-)-Limonene_2
333117.65 343117.65 370529.41
(-)-Limonene_3
251523.53 157982.35 207976.47
Linamarin_1
1247529.41 1435705.88 1632058.82
Linamarin_2
455600.00 634400.00 619352.94
Linoleate_1
3956000.00 1962647.06 3526235.29
Linoleate_2
1089352.94 849941.18 961882.35
Linoleate_3
500870.59 178647.06 398647.06
L-ISOLEUCINE
954294117.65 900588235.29 958823529.41
L-Kynurenine
11344117.65 11052352.94 11726470.59
L-Leucine_1
1882405.88 3024270.59 1921764.71
L-Leucine_2
300970.59 35730770.59 330305.88
L-Lysine 1,6-lactam
642882.35 1096529.41 1363117.65
L-Methionine
1595000.00 1673058.82 1493117.65
L-Methionine S-oxide_1
46447058.82 48641176.47 47335294.12
L-Methionine S-oxide_2
416864.71 1166311.18 191988.24
L-Octanoylcarnitine
6642941.18 4013470.59 8176470.59
Lophocerine
1542360.00 198080.75 1229168.57
Lophophorine
741705.88 527411.76 710882.35
L-Phenylalanine
972117647.06 927941176.47 1013529411.76
L-Pipecolate_1
9705294.12 8447058.82 9197647.06
L-Pipecolate_2
2979411.76 2784705.88 3354705.88
L-Pipecolate_3
5605058.82 4375529.41 4883235.29
L-Pipecolate_4
1293235.29 1406235.29 1660588.24
L-PIPECOLIC ACID
89047058.82 116541176.47 107729411.76
L-PROLINE
636941176.47 846058823.53 694764705.88
L-Rhamnose
4577647.06 4580588.24 4665294.12
L-SERINE
6481176.47 6380588.24 6727058.82
L-THREONINE
66994117.65 81311764.71 73623529.41
L-Tryptophan_1
469823529.41 433764705.88 456176470.59
L-Tryptophan_2
154664.71 133264.71 160552.94
L-Tyrosine_1
383529411.76 372588235.29 388294117.65
L-Tyrosine_2
3514117.65 2558000.00 4086176.47
L-Tyrosine_3
293529.41 234529.41 260994.12
L-Tyrosine methyl ester
653564.71 243835.29 633223.53
Lycodine
540635.29 763484.12 517973.33
Maculosin
3974235.29 1616823.53 3050411.76
Maleamate
1000941.18 885294.12 947311.76
Mandelonitrile_1
483117.65 266705.88 393464.71
Mandelonitrile_2
409100.00 423147.06 316400.00
Mannitol_1
247541.18 160452.94 263964.71
Mannitol_2
368205.88 466194.12 168817.65
Mannopine
3847.06 2181.71 4524.12
MANNOSE
796941176.47 915000000.00 819058823.53
Meloxicam
- - 534.00
(-)-Menthyl acetate_1
1633529.41 1597647.06 1590000.00
(-)-Menthyl acetate_2
1528235.29 1534117.65 1456470.59
(-)-Menthyl acetate_3
311023.53 288888.24 283541.18
Metaxalone
354525.29 536988.24 813491.18
Metformin
193397.50 6010.00 76581.67
Methaphenilene
892352.94 826882.35 921000.00
Methyl 2-diazoacetamidohexonate_1
215921.18 131917.65 288376.47
Methyl 2-diazoacetamidohexonate_2
82723.53 89376.47 91611.76
Methyl 2-diazoacetamidohexonate_3
27571.18 29338.24 23622.35
Methyl acetyl ricinoleate
840688.24 922423.53 665411.76
Methyleugenol_1
1734705.88 1533529.41 1618823.53
Methyleugenol_2
921058.82 1029941.18 953764.71
Methyleugenol_3
198176.47 231941.18 225000.00
Methyleugenol_4
138811.76 155647.06 133988.24
Methylguanidine
481763.75 756290.59 746100.00
Methylimidazoleacetic acid_1
5626588.24 5640764.71 5124941.18
Methylimidazoleacetic acid_2
1013000.00 883235.29 1109352.94
Methylimidazoleacetic acid_3
270594.12 279111.76 271764.71
METHYL INDOLE-3-ACETATE
11716294.12 9869264.71 11010941.18
Metipranolol
228533.33 130766.67 501200.00
Monodehydroascorbate
1694529.41 2029117.65 1678823.53
Montanin A
1102000.00 631588.24 653529.41
Morphine
16330000.00 20264470.59 17630117.65
Murrayanine
5102375.00 2230.00 1050000.00
Myxalamid A
729550.59 944258.24 888162.94
N1-Acetylspermidine
744764.71 940294.12 734529.41
N1-Methyl-2-pyridone-5-carboxamide
16131764.71 19654117.65 20505882.35
N2-Acetyl-L-aminoadipate
154605.88 135811.76 253076.47
N-(2-Methoxyphenyl)-N^-(2-naphtyl)urea
1190.00 - -
N5-Phenyl-L-glutamine_1
5912705.88 5168352.94 5397518.82
N5-Phenyl-L-glutamine_2
654647.06 217088.24 589588.24
N6-Acetyl-N6-hydroxy-L-lysine
15441176.47 18503529.41 20028823.53
N-(6-Aminohexanoyl)-6-aminohexanoate
1008882.35 532294.12 1012058.82
N6-(delta2-Isopentenyl)-adenine
309823529.41 263411764.71 305882352.94
N6-Methyl-L-lysine
796705.88 1069000.00 825882.35
N-Acetoxy-4-aminobiphenyl
1953.33 1480.17 1380.00
N-ACETYL-D-GALACTOSAMINE
1388294.12 1609941.18 1747352.94
N-Acetyl-D-tryptophan
468729.41 543917.65 812235.29
N-ACETYLGLYCINE
5291764.71 5465882.35 4822941.18
N-Acetylimidazole_1
3755294.12 2187882.35 3248117.65
N-Acetylimidazole_2
850235.29 833529.41 896705.88
N-ACETYL-L-ALANINE
3384117.65 3284352.94 3271705.88
N-Acetyl-L-citrulline
1100470.59 899002.94 1084194.12
N-Acetyl-L-leucine_1
1118941.18 1281352.94 1443529.41
N-Acetyl-L-leucine_2
900738.24 589971.76 924841.18
N-Acetyl-L-leucine_3
302525.29 340794.71 402217.65
N-Acetyl-L-leucine_4
165547.06 187117.65 171329.41
N-Acetyl-L-leucine_5
172694.12 145111.76 152788.24
N-Acetyl-L-phenylalanine
657000.00 772788.24 1163000.00
N-Acetylmethionine
98139.00 42890.77 169319.17
N-Acetylornithine_1
19501176.47 18064705.88 19782352.94
N-Acetylornithine_2
2156600.00 1288941.18 2031058.82
N-Acetylornithine_3
510235.29 294764.71 505058.82
N-Acetylornithine_4
152305.88 183217.65 212664.71
N-(Acetyloxy)benzenamine_1
797711.76 156417.65 208464.71
N-(Acetyloxy)benzenamine_2
3846281.18 70894.12 315375.88
N-Acetylputrescine
250815.83 4009.09 3397.50
N-ACETYLPUTRESCINE
1090852.94 1469705.88 2303882.35
Nalidixic acid_1
3747058.82 5130588.24 5958823.53
Nalidixic acid_2
3140588.24 2136411.76 2451764.71
Nalidixic acid_3
1538588.24 1051352.94 1767058.82
Nalidixic acid_4
635352.94 636935.29 998529.41
Nalidixic acid_5
68791.76 33230.00 98291.76
N-Amidino-L-glutamate
373235.29 240135.29 305247.06
N-Cyclohexylformamide_1
514823.53 361105.88 497235.29
N-Cyclohexylformamide_2
402882.35 342752.94 471941.18
N-Cyclohexylformamide_3
605182.35 443058.82 777900.00
N-Cyclopropylammeline
1454541.88 1350.67 478254.83
Nebularine
2673.33 5023.12 3518.67
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
11064117.65 12557058.82 13119411.76
N-Ethylglycocyamine
270764705.88 247941176.47 252352941.18
N-Ethylmaleimide
1878629.41 1428900.00 1060429.41
Netilmicin
1082176.47 887941.18 873352.94
N-Formimino-L-glutamate
7180000.00 6584705.88 6205882.35
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
232452.94 274011.76 352288.24
N-FORMYLGLYCINE
645176.47 839941.18 617705.88
N-Formylmethionine
3328436.47 1906687.50 2931190.59
N-Heptanoylhomoserine lactone
354858.82 324205.88 292076.47
N-Hydroxy-L-valine
18712941.18 13273529.41 19764117.65
Nicotinamide
1447941.18 1398235.29 1367352.94
NICOTINAMIDE
3899411.76 3610588.24 3674117.65
NICOTINATE
1647647.06 2606529.41 4284647.06
Nicotyrine
3651764.71 3454117.65 3576470.59
N-Isopropylammelide_1
2366647.06 2119764.71 2064176.47
N-Isopropylammelide_2
1195335.29 747469.41 965088.24
N-Isopropylammelide_3
584529.41 933294.12 515117.65
Nitrofurazone_1
947294.12 956411.76 850294.12
Nitrofurazone_2
113988.24 125564.71 106364.71
N-Methyl-2-pyrrolidinone_1
39096470.59 36072352.94 25242941.18
N-Methyl-2-pyrrolidinone_2
2614705.88 2372352.94 2273529.41
N-Methyl-2-pyrrolidinone_3
2750117.65 1930705.88 2725764.71
N-Methyl-2-pyrrolidinone_4
1523176.47 1321176.47 1731470.59
N-Methyl-2-pyrrolidinone_5
648805.88 355482.35 505470.59
N-METHYL-D-ASPARTIC ACID
8091764.71 10335882.35 10420000.00
N-Methyl-N^-nitro-N-nitrosoguanidine
100217.65 115405.88 96411.76
N-Methylpelletierine_1
1278352.94 2598882.35 1547117.65
N-Methylpelletierine_2
669994.12 1534064.71 1776576.47
N,N^-Diacetylhydrazine
5797058.82 2717411.76 5072529.41
N,N-Dimethylhistidine
1478852.94 505388.24 1260623.53
N-Nitrosoguvacoline_1
3228176.47 2498235.29 3311647.06
N-Nitrosoguvacoline_2
1927529.41 1841705.88 1936411.76
N-Nitrosopiperidine_1
26388235.29 17964705.88 23241176.47
N-Nitrosopiperidine_2
792529.41 939647.06 1187176.47
Nona-2,6-dienal
159064.71 171588.24 161170.59
Nonane-4,6-dione
122982.35 150017.65 115541.18
(+)-Norephedrine
2104.12 2679.41 2650.00
N(PAI)-METHYL-L-HISTIDINE
54494117.65 55958823.53 55441176.47
N-Phosphohypotaurocyamine
717176.47 695411.76 787588.24
N-Trimethyl-2-aminoethylphosphonate_1
327058.82 305941.18 325352.94
N-Trimethyl-2-aminoethylphosphonate_2
129158.82 144576.47 140152.94
Nuatigenin
1194823.53 868647.06 900529.41
O-Butanoylcarnitine_1
7161176.47 7602352.94 9458235.29
O-Butanoylcarnitine_2
288322.50 74863.75 73154.71
Octanoic acid
714235.29 620000.00 619823.53
Octylamine
20458823.53 20452941.18 20129411.76
O-Decanoyl-L-carnitine
7418235.29 4300823.53 8544117.65
Oleoylethanolamide
225851.76 69151.76 103445.29
O-Propanoylcarnitine_1
14361764.71 14364117.65 16218235.29
O-Propanoylcarnitine_2
141123.24 49777.65 55752.35
O-Propanoylcarnitine_3
151652.47 27952.67 57107.65
O-Propanoylcarnitine_4
4785.88 3570.59 4721.18
Orcinol
200423.53 216458.82 178635.29
Ornaline
347782.35 295800.00 319247.06
Otonecine_1
5816470.59 8987647.06 6804117.65
Otonecine_2
1078176.47 816058.82 1239823.53
O-Ureido-L-serine
5777.06 4621.76 4717.06
Oxidized Latia luciferin
1538235.29 1788235.29 1550588.24
Pantothenate_1
75641176.47 82288235.29 74941176.47
Pantothenate_2
3581764.71 3792352.94 3451176.47
Paramethadione_1
2318823.53 2721117.65 3121411.76
Paramethadione_2
773235.29 613411.76 780058.82
Paramethadione_3
363823.53 455941.18 301235.29
Paramethadione_4
164035.29 242705.88 168976.47
p-Benzoquinone_1
7079411.76 8742941.18 7668823.53
p-Benzoquinone_2
2027117.65 3098823.53 2915176.47
p-Benzosemiquinone
28977.33 2407.14 14100.71
p-Cumate
7650723.53 3484588.24 3991034.71
Peganine
679164.71 490970.59 592823.53
Penitrem D_1
8541176.47 8542352.94 8800000.00
Penitrem D_2
172888.24 219011.76 274982.35
Pentachloroethane
2548823.53 2581764.71 2678823.53
Pentanamide
13388235.29 9397647.06 9560000.00
Phenacetin
190123.53 345349.41 446311.76
Phendimetrazine_1
3580588.24 3177058.82 3407058.82
Phendimetrazine_2
252882.35 301647.06 264000.00
Phenmetrazine
4671176.47 4420588.24 4111176.47
Phenyl acetate
29259.41 24320.59 41571.76
Phenylacetylglutamine
6404058.82 4482941.18 4331647.06
Phenylhydrazine
3753529.41 4186470.59 4283529.41
Phenylpyruvate
45023529.41 44088235.29 45864705.88
Phosphoagmatine
2155.29 2430.59 3189.33
Phosphodimethylethanolamine
492000.00 353058.82 409470.59
Phthalate
559058.82 540764.71 536176.47
Phytuberin_1
12005882.35 11372941.18 11617647.06
Phytuberin_2
907235.29 853235.29 882529.41
Piperidine_1
157176470.59 144235294.12 157588235.29
Piperidine_2
100094117.65 92735294.12 100870588.24
Piperidione_1
425941.18 515294.12 603352.94
Piperidione_2
197023.53 210070.59 205117.65
Piperidione_3
224870.59 169741.18 257352.94
Piperidione_4
2939.41 2724.71 3524.12
Pirbuterol
1884235.29 1743529.41 2294941.18
Pirimicarb
6376823.53 7757647.06 8018823.53
Porphobilinogen
204752.94 358117.65 328358.82
Precocene II
6785882.35 6743529.41 6562941.18
Prekinamycin
973.00 887.00 1130.00
Prenol
6422.35 4013.53 3227.12
Prenyl caffeate
4231.76 4654.71 3328.24
Propanoate
4054705.88 3281176.47 5499529.41
Propyl cinnamate
9043.53 11559.33 12190.62
Protoanemonin
26088235.29 32352941.18 28358823.53
Pseudopelletierine
1298058.82 1225647.06 1722517.65
Pulcherriminic acid
10463529.41 11880000.00 11782941.18
p-Xylene
8650.00 7335.29 10455.88
Pyridostigmine
1062882.35 1142823.53 961117.65
Pyridoxal
1239470.59 1434235.29 1107411.76
Pyridoxamine_1
3485294.12 3220941.18 3591470.59
Pyridoxamine_2
1418176.47 1769823.53 1934176.47
PYRIDOXINE
480334.71 736657.06 1237770.00
QUINATE_1
181380.00 273358.24 2502294.12
QUINATE_2
136882.35 161276.47 1339882.35
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
88605882.35 81347058.82 82200000.00
Rehmaionoside C
7730.00 4002.00 1195.00
Retronecine
539676.47 456582.35 335847.06
Ripazepam
618635.29 481529.41 646888.24
Rishitin
1411800.00 2105529.41 1801852.94
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1
17852941.18 17454705.88 19541176.47
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2
10278235.29 9043529.41 9441764.71
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_3
1760470.59 2291588.24 1915882.35
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_4
1627647.06 1234294.12 1411352.94
Saccharin sodium anhydrous_1
1497705.88 1978823.53 1471176.47
Saccharin sodium anhydrous_2
404094.12 462764.71 367588.24
S-Allyl-L-cysteine_1
4107176.47 4757941.18 3230529.41
S-Allyl-L-cysteine_2
1040058.82 1108588.24 1353470.59
S-Allyl-L-cysteine_3
159047.06 160686.47 158401.88
S-Allyl-L-cysteine_4
165943.08 159418.00 107518.89
S-Allyl-L-cysteine_5
4573.64 57266.67 22181.00
SARCOSINE
257552.94 371470.59 269358.82
(S)-ATPA_1
2721176.47 2818823.53 3103529.41
(S)-ATPA_2
65282.35 137044.12 133688.24
Sebacic acid_1
1984235.29 2120294.12 1923882.35
Sebacic acid_2
155105.88 150747.06 159329.41
Sebacic acid_3
5945.29 5376.71 7522.94
Serotonin
681125.00 1458.00 117043.33
Shikimate
8037.06 27246.67 43339.38
Sinapyl alcohol
4260205.29 408735.29 1004717.65
Sodium ortho-phenylphenate
1268405.88 861529.41 479705.88
Sodium sulfate
717000.00 810476.47 521411.76
Sphingosine_1
398411.76 264588.24 281117.65
Sphingosine 1-phosphate
257468.12 192929.41 189900.00
Sphingosine_2
142829.41 107441.18 126835.29
Stovaine_1
744990.00 914169.00 1837470.00
Stovaine_2
129879.17 29245.71 162679.33
Styrene
4663.12 5461.25 3911.76
Suberic acid_1
190529.41 190117.65 183000.00
Suberic acid_2
2654.71 2482.35 108761.76
Suberic acid_3
1944.12 2142.50 2025.00
Succimer
501950.00 265788.24 494852.94
Succinate_1
4157647.06 4428235.29 4302352.94
Succinate_2
580823.53 465352.94 463294.12
Succinic anhydride
534058.82 759176.47 610764.71
Succinimide_1
1532941.18 1544411.76 1417352.94
Succinimide_2
719882.35 679882.35 655823.53
SUCROSE
6870758.82 15497600.00 19900582.35
Sulcatone_1
406000.00 376176.47 387352.94
Sulcatone_2
185388.24 182335.29 185500.00
Sulfacetamide sodium anhydrous
47129411.76 59464705.88 44835294.12
Sulfamethazine
1526470.59 1504705.88 1524705.88
(-)-Sympatol_1
476294.12 448747.06 521529.41
(-)-Sympatol_2
263647.06 252941.18 243329.41
Tabtoxinine-beta-lactam_1
2585070.59 1585588.24 3327282.35
Tabtoxinine-beta-lactam_2
950588.24 746641.18 1070176.47
Tabtoxinine-beta-lactam_3
89258.82 52270.59 116158.24
TAURINE
2679411.76 2991764.71 2748823.53
Taurocyamine
200773.08 340228.18 383517.00
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1
515391.18 291429.41 365405.88
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2
281318.24 89771.18 96446.47
Terpendole E
306746.47 186005.88 206329.41
Terpendole G
1343087.06 477594.12 336794.12
TES
- - -
Thiomorpholine 3-carboxylate_1
2041411.76 2766352.94 2148470.59
Thiomorpholine 3-carboxylate_2
201958.82 578825.29 89429.41
Thiomorpholine 3-carboxylate_3
173285.00 273270.00 43153.33
Thymine
427235.29 443352.94 464529.41
THYMINE
246201.18 287125.88 476682.35
Tolmetin sodium
16297647.06 20835294.12 20480588.24
Toluene-cis-dihydrodiol_1
221294.12 227529.41 262000.00
Toluene-cis-dihydrodiol_2
81046.47 164282.35 885523.53
Toluene-cis-dihydrodiol_3
72888.24 94326.47 297441.18
Tolylacetonitrile_1
1735411.76 1658823.53 1705294.12
Tolylacetonitrile_2
199902.35 117005.88 183870.59
Tos-Lys-CH2Cl
48547058.82 45670588.24 47788235.29
TRANS-CINNAMATE
271970.59 363823.53 266823.53
trans-Cinnamate_1
7370000.00 7076470.59 7660588.24
trans-Cinnamate_2
773647.06 799411.76 773470.59
Transfluthrin
3586.67 - 1750.00
Traumatic acid
81294.12 80764.71 86405.88
Tremetone
1317058.82 1335882.35 1261176.47
Trimethylamine N-oxide
29299411.76 32830588.24 44624705.88
Tris(butoxyethyl)phosphate
9806470.59 8887647.06 7891764.71
Tropinone
1495176.47 1420470.59 1240941.18
Trp-P-1
47029411.76 46247058.82 47000000.00
Tussilagine_1
677770.59 674270.59 662829.41
Tussilagine_2
42510.59 71096.47 76222.94
Tussilagine_3
40554.12 58374.71 31853.53
Tyramine_1
2368235.29 2288823.53 2355294.12
Tyramine_2
674529.41 645470.59 621941.18
Uracil
15386470.59 20717647.06 19505882.35
URACIL
1114058.82 1411882.35 1734705.88
URATE
247352941.18 298411764.71 264352941.18
Ureidoacrylate
459050.59 813905.88 643764.71
Uridine_1
3834117.65 4839411.76 4811176.47
Uridine_2
3567647.06 3412941.18 3638823.53
Urocanate_1
1297411.76 1377941.18 928470.59
Urocanate_2
143447.06 188117.65 146211.76
Vanillyl alcohol
52395.29 61129.41 76147.06
Warfarin
4311764.71 4565882.35 4607647.06
Xanthan
3730000.00 3795882.35 3674705.88
Xanthine
6208235.29 7612941.18 6595294.12
XYLITOL
866364.71 1158176.47 1108764.71
ZAPA
1686882.35 1448058.82 1381764.71
Zeatin
1312117.65 1689000.00 1825823.53
Zingerone
44117647.06 39400000.00 40164705.88

Factors:

F1Treatment :Baseline plasma
F2Treatment :Plasma after drinking apple juice
F3Treatment :Plasma after drinking cranberry juice
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