Data for (Study ST002760)

(Analysis AN004483)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

MetaboliteF1F2F3F4F5
10-HDA 1.0141 1.0765 1.0420 1.1471 0.5212
10-oxo-8-decenoic acid 1.0427 0.9446 1.3716 0.3424 0.7603
1,1,6-Trimethyl-1,2-dihydronaphthalene 1.1206 1.4782 1.0644 0.0293 0.3129
11-Aminoundecanoic acid 1.7347 0.4163 1.3743 0.0541 0.6324
11-Nor-9-carboxy-thc 1.4543 1.2016 0.7498 0.0020 0.9838
1,2-Benzoquinone 0.2898 0.8221 2.3557 0.0370 0.7939
1,2-Cyclohexadione 0.9909 1.2727 0.8764 0.8585 0.7915
1,3,7-Octanetriol 0.9713 1.0562 1.1211 0.0154 1.6130
1,3,7-Trimethyluric acid 1.0168 1.3364 1.0182 0.0100 1.0615
1-(3a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethanone 0.0917 2.3438 0.8415 0.0291 1.2784
1,3-Dipropylxanthine 0.5585 1.2088 1.6621 0.0023 0.9244
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylic acid 0.3299 0.2921 2.9066 0.0993 0.5795
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 0.7799 0.6364 2.0146 0.0898 0.8330
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acid 0.2596 0.1803 2.9464 0.0420 0.9923
1-(4-Amino-4-deoxy-beta-D-glucopyranuronosyl)-4-imino-1,4-dihydro-2-pyrimidinol 0.8473 1.2324 1.3639 0.0006 0.8905
1-(4-Benzyl-1-piperazinyl)-2-[(3R,4S)-3-{[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl}-4-piperidinyl]ethanone 0.5034 0.4965 2.5051 0.1975 0.5401
1-(4-Hydroxyphenyl)-1-decene-3,5-dione 0.2414 0.2807 2.9712 0.0603 0.7065
16alpha,19-Dihydroxy-4-androstene-3,17-dione 0.2148 0.1802 3.1241 0.1377 0.5647
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one 0.8545 1.5202 0.9416 0.2356 0.9737
1,7-Dihydroxy-6,6-dimethyl-3,5,5a,6,7,8,9a,9b-octahydronaphtho[1,2-c]furan-9(1H)-one 0.5628 0.5620 2.2298 0.3593 0.7542
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine 0.4721 1.3177 1.0021 0.0339 2.4863
1-(beta-D-ribofuranosyl)thymine 0.5481 0.6076 2.1707 0.0007 1.1833
1-Deoxynojirimycin 0.5691 0.6271 2.2799 0.1210 0.6888
1-Hexadecanoylpyrrolidine 1.0106 1.4609 1.2201 0.0417 0.2291
1-Isopropenyl-3-isopropylbenzene 0.9710 1.1440 1.4016 0.0174 0.6912
1-Methylhistidine 0.8608 1.2104 1.2936 0.0173 1.0706
1-Methylimidazole-4-acetaldehyde 1.2063 1.1964 1.0188 0.0472 0.8989
1-Methylimidazoleacetic acid 0.7395 0.7671 1.8951 0.0956 0.9002
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione 0.7532 1.1946 1.4941 0.0015 0.8937
1-Piperideine 0.6910 1.0755 1.4690 0.3888 1.0223
(1R,9R)-N-(4-Fluorophenyl)-5-[(3-methoxypropanoyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide 0.6793 1.0165 1.7619 0.0153 0.8407
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium 1.1184 0.9009 1.1757 0.7421 0.7704
(1S)-1-Carboxy-N,N,N-trimethyl-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)ethanaminium 0.8635 1.0725 1.5413 0.0108 0.7958
(1S,2S)-1-(4-Methoxyphenyl)-1,2-propanediol 0.4141 0.9867 1.9116 0.3141 0.9048
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid 0.9127 2.2064 0.2327 0.0080 1.1126
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âa⁰.0⁴,âa]hexadec-10-ene-5-carboxylic acid 0.3187 0.1240 3.0555 0.0404 0.7142
(1Z)-N-[3-Hydroxy-2-(octanoyloxy)propyl]octanimidic acid 0.9041 1.5396 0.9793 0.0017 0.9409
20-Dihydro 6a-methylprednisone 0.7540 0.7864 1.9236 0.0100 0.8299
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic acid 0.6651 0.8466 1.8755 0.4569 0.5750
2-(1H-indol-3-yl)acetic acid 1.0338 0.6585 1.7981 0.0245 0.7495
2,2,6,6-Tetramethyl-4-piperidinol 0.8756 0.5910 1.8222 0.3027 0.9752
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid 0.9851 1.3437 1.1198 0.0078 0.8706
2,2^-Iminodipropan-1-ol 0.2759 0.4442 2.7291 0.0022 0.8750
2,3-Bis(octanoyloxy)propanimidic acid 0.9976 1.1978 1.2374 0.0175 0.9007
240I539PWQ 1.2070 0.9916 1.1211 0.0036 1.1972
2,4,6-Octatriyn-1-ol 0.9979 0.8930 1.5684 0.0024 0.8494
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose 0.3308 0.3112 3.0420 0.0087 0.2815
2^,4-Dihydroxychalcone 0.9017 1.4652 0.9559 0.0178 1.1755
2,4-Dimethyladipic acid 1.0251 0.7230 1.6800 0.0799 0.8497
2,5-Dimethyl-4-ethoxy-3(2H)-furanone 1.0604 0.7180 1.6587 0.0741 0.8331
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol 1.1330 0.9106 1.6899 0.0353 0.1309
2-Acetamidooctanoic acid 1.3529 1.0180 1.2846 0.0143 0.3471
2-Acetyl-4-methylpyridine 1.0513 0.8692 1.5292 0.0016 0.8742
2-Amino-3-methoxybenzoic acid 1.1652 1.1238 1.1494 0.0126 0.8914
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)hexanoic acid (non-preferred name) 1.0442 1.2241 1.0595 0.0024 1.1781
2-Amino-9,10-epoxy-8-oxodecanoic acid 0.3624 0.5414 2.6368 0.0745 0.5738
2-Aminonicotinic acid 1.0356 0.9562 1.4765 0.0045 0.8248
2-Decylfuran 1.1345 0.9393 1.1762 0.4996 0.8754
2^-Deoxycytidine 1.0972 1.2199 1.1049 0.0011 0.9441
2-deoxy-D-gluconic acid 1.2243 1.0484 1.0225 0.0122 1.2499
2^-Deoxyinosine 1.0686 1.1208 1.2426 0.0105 0.9097
2-(Diethoxymethyl)furan 1.1966 0.8199 1.3538 0.1837 0.8904
2-(Diethylamino)ethanol 0.4998 0.6693 1.5337 0.0013 2.7417
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde 1.0378 1.0103 1.3667 0.0007 0.9623
(2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0Â?,⁶.0⁶,Â?Â?.0⁷,ÂaÂ?.0Âa⁴,Â?Â?.0Âa⁶,Â?Âa]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one 0.1195 1.3294 1.9781 0.0803 0.8524
(2E,4E,7E)-2,4,7-Decatrienoic acid 0.5479 0.5443 2.1518 0.8108 0.5793
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide 0.1194 0.1135 3.2717 0.0493 0.6889
(2E,6Z)-Nona-2,6-dienal 0.9496 1.0806 1.3350 0.1653 0.9215
2-Furoic acid 0.3751 2.7844 0.2431 0.1427 0.8509
2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spiro[cyclopentane-1,2^-naphthalene]-5^-carboxylic acid 1.2712 0.5094 1.7020 0.1367 0.6566
2-hydroxyhepta-2,4-dienedioic acid 0.9946 1.1622 1.2312 0.0180 1.0120
2-Hydroxyhippuric acid 0.5696 0.6506 2.2272 0.0166 0.8649
2-Hydroxy-N-(2-hydroxyethyl)propionamide 0.9020 1.2088 0.9750 0.0316 1.7540
2-hydroxysebacic acid 0.5239 0.2738 2.6745 0.0852 0.7345
2-Isobutyl-3-methylpyrazine 0.2962 0.3226 2.9117 0.0777 0.5961
2-Methyl-3-thioacetoxy-4,5-dihydrofuran 0.4169 2.4548 0.5481 0.0008 0.9497
2-Methylthiazolidine 1.2481 0.9377 1.2539 0.0020 0.8986
2-Naphthol 0.8002 0.9418 1.0523 0.0046 2.5095
2-Oxindole 0.9092 0.5040 2.0260 0.0168 0.8852
2-Pentyl-1,3-thiazolidine 0.4590 0.6024 2.4689 0.0158 0.6583
2-Phenylethyl D-glucopyranoside 0.8533 1.5200 0.9461 0.2347 0.9668
2-Phenylindole 1.6561 0.8538 1.1339 0.1423 0.2485
2-Quinolinecarboxylic acid 0.7079 1.5764 1.1451 0.0024 0.9240
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate 0.8672 1.7561 0.5648 0.4851 1.0448
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phosphate 0.8719 1.0779 1.4871 0.0065 0.9012
(2S)-2-Amino-4-hexynoic acid 1.1753 0.9259 1.1518 0.3950 0.9725
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name) 0.6809 1.0388 1.6400 0.0196 1.0810
(2S)-4-Acetamido-2-aminobutanoic acid 0.4711 1.3488 1.0860 0.0460 2.1891
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid 0.4978 2.1589 0.7677 0.0182 0.9208
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one 0.3114 0.2637 2.9127 0.0451 0.7351
(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(dimethylamino)benzoyl]-1-(4-morpholinylcarbonyl)-2-piperazinecarboxamide 3.3325 0.0629 0.0476 0.0231 0.8695
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid 0.4148 2.4790 0.5260 0.0046 0.9461
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne 1.0096 1.3161 1.1056 0.0014 0.9204
(2Z)-2-Nonenoic acid 1.3907 0.5005 1.3892 0.7439 0.5549
(2Z,4E)-2,4-Hexadienedial 0.9509 0.8159 1.6197 0.3082 0.7257
(2Z,4Z,6Z)-2,4,6-Nonatrienal 0.6466 0.5840 2.1733 0.6210 0.3691
3,14-dihydro-15-keto-tetranor Prostaglandin E2 0.3175 0.2513 2.9362 0.1064 0.6311
3-[(1S)-4-Oxo-2-cyclohexen-1-yl]-L-alanine 0.9199 1.0943 1.4131 0.0150 0.9169
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine 0.8363 1.4681 1.0805 0.0712 0.9667
3-[2-(3-Hydroxyphenyl)ethyl]-2,5-dimethoxyphenol 0.2480 0.3947 2.8377 0.0303 0.7689
3-[3,4-Dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]propanamide 0.7880 1.1107 1.4814 0.0124 1.0371
3-(3,4-dihydroxyphenyl)propanoic acid 0.9868 0.9163 1.5543 0.0002 0.8562
3-(3,5-Dimethoxyphenyl)propanoic acid 0.3441 0.2906 2.7667 0.4743 0.5220
3-(3-methylthio)propylmalic acid 0.8830 1.0470 1.1178 0.2790 1.6014
3,4-dehydrothiomorpholine-3-carboxylic acid 1.0454 1.4922 1.0703 0.0057 0.4745
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methylpentanoyl)-2-cyclopenten-1-one 1.7015 0.1383 1.6395 0.1008 0.7008
3,4-Dimethylbenzoic acid 1.1798 1.2322 1.0228 0.1126 0.8003
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione 0.0348 0.0433 3.4366 0.0181 0.6952
3,4-Methylenedioxyamphetamine 0.7180 1.1281 1.1850 0.3418 1.5804
3,4-Methylenesebacic acid 0.6674 0.7022 1.9478 0.6810 0.5256
3,5-di-tert-Butyl-4-hydroxybenzoic acid 0.9949 1.1818 1.1284 0.2608 0.9762
3-Amino-2-naphthoic acid 0.4396 0.5878 2.5223 0.0600 0.5659
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol 0.8583 1.2566 1.3301 0.0021 0.8853
3-Amino-4,7-dihydroxy-8-methylcoumarin 0.9983 0.5336 1.9186 0.0316 0.8422
(3aS,4R,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid 0.5397 1.3481 1.5869 0.0008 0.8125
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one 0.3746 0.6846 2.4141 0.0085 0.8080
(3E)-2,5-Dioxo-3-hexenal 0.3632 0.7423 2.2624 0.2995 0.7808
3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one 0.5940 1.8226 0.9749 0.0075 1.0140
3-Hydroxy-2-oxobutanoic acid 0.8492 1.2189 1.3114 0.0210 1.0304
3-Hydroxy-3-methyl-2,3-dihydro[1,3]thiazolo[3,2-a]indole-9-carbaldehyde 0.5693 0.7944 2.0990 0.0057 0.8375
3-Hydroxyanthranilic acid 0.3719 2.0286 0.9454 0.0156 1.1197
3-Indoleacetamide 1.1093 1.0829 1.1980 0.0114 1.0130
3-Indoleacetonitrile 1.0241 1.1396 1.2409 0.0093 0.9793
3-Isopropenylpentanedioic acid 0.5783 0.6288 2.2365 0.2497 0.6414
3-Mercaptohexanol 0.8604 1.2260 1.4061 0.0107 0.7582
3-Methoxy-4-hydroxyphenylglycol glucuronide 0.9624 1.7411 0.6850 0.0013 1.0275
3-Methylcrotonylglycine 0.6319 0.9203 1.8673 0.0944 0.8568
3-Methylcytosine 1.0608 1.0346 1.3381 0.0362 0.8801
3-Methylhistidine 0.8863 1.2516 1.1904 0.0043 1.1751
3-(Methylthio)hexyl hexanoate 1.1140 1.3326 0.9995 0.0042 0.8805
3-oxo-C12-HSL 1.0850 1.2153 1.2220 0.0473 0.6470
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione 0.4189 0.4885 2.5880 0.0132 0.7484
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-1-yl)oxy]benzyl}-2,5-piperazinedione 0.7326 2.0209 0.5930 0.1051 1.0286
3-Thiomorpholinecarboxylic acid 0.9817 1.5593 1.0870 0.0009 0.4289
3-Tropanol 0.6856 0.8799 1.7760 0.0591 1.0872
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien-3-imine 1.9919 0.8333 0.7027 0.0056 0.6746
4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-10-hydroxy-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione 0.9970 0.9942 1.4514 0.0125 0.8809
4-[(3-Acetamidopropyl)amino]butanoic acid 1.6774 0.8010 1.1484 0.0066 0.4262
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)-3-methylbutanoic acid 1.9938 0.2400 1.3156 0.0646 0.5620
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane 0.9048 0.8058 0.5993 0.0394 3.6858
(4aS,5R,6S,8aS)-5-[(3E)-5-methoxy-3-methyl-5-oxopent-3-en-1-yl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid 1.4332 1.7272 0.3078 0.0210 0.8084
(4E,6E)-4,6-Tetradecadiene-8,10,12-triyn-1-yl acetate 0.0886 3.1377 0.1087 0.0497 1.1129
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one 1.0424 1.0141 0.9569 0.7465 1.2202
4-Guanidinobutyric acid 0.5661 0.6306 2.3055 0.0042 0.7401
4-hydroperoxy 2-Nonenal 0.7059 0.3071 2.4331 0.1406 0.7441
4-Hydroxy-5-methylfuran-3(2H)-one 0.3659 0.7850 2.2049 0.2162 0.8944
4-(Hydroxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2^-oxirane]-1,6-diol 0.3853 0.5010 2.6685 0.0574 0.5555
4-Hydroxyprolylleucine 1.2544 0.8314 1.3401 0.0119 0.9233
4-Hydroxyprolylproline 0.5714 0.9552 1.9752 0.0034 0.7421
4-O-(a-D-Glucopyranosyl) moranoline 0.9348 0.8861 1.6501 0.0255 0.7970
4-Oxocyclohexanecarboxylic acid 0.7867 0.8245 1.4326 1.0439 0.8467
4^-Phosphopantetheine 0.4893 0.2977 2.8000 0.0262 0.5065
(4R)-5-Hydroxy-L-leucine 0.7198 1.1853 1.4565 0.0020 1.0940
4-Vinylcyclohexene 0.6579 0.3088 2.5215 0.1296 0.6501
(4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-hexenoic acid 0.0970 0.4567 2.9469 0.0262 0.7224
5-{4-[2-(Methylamino)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione 0.8883 1.1807 1.3165 0.0100 1.0262
5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol 0.7865 0.8554 0.9080 0.2574 2.8679
5,6-Dihydrothymidine 1.2781 1.0248 1.1724 0.0129 0.7989
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one 1.2012 1.1821 1.3419 0.0114 0.1757
5-Acetyl-2,4-dimethylthiazole 0.3006 2.6600 0.3321 0.0518 1.2165
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid 1.2489 0.7573 1.5284 0.0211 0.6425
5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE 1.1109 0.8789 1.2896 0.0024 1.2992
5-Butyloxazole 0.7712 0.7526 1.9040 0.0292 0.9013
(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid 0.6523 0.8947 1.9056 0.1555 0.7130
5-Ethyl-4-hydroxy-3(2H)-furanone 0.6199 1.0797 1.5909 0.0339 1.2399
5-Heptyl-2-oxotetrahydro-3-furancarboxylic acid 1.0732 1.3706 1.2202 0.0294 0.3105
5-Hydantoinpropionic acid 1.3012 1.4604 0.6889 0.0163 0.8573
5-Hydroxy-DL-tryptophan 1.0570 1.1206 1.2127 0.0031 1.0211
5-Hydroxyindole-3-acetic acid 0.8178 0.8186 1.9092 0.0092 0.6268
5-Methyl-2-octyl-3(2H)-furanone 1.5529 1.1072 0.7926 0.2209 0.6473
5-Methylcytosine 0.9092 1.0763 1.4462 0.0344 0.8863
5-methyldeoxycytidine 1.0381 1.0361 1.3712 0.0079 0.8786
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid 1.0496 1.1944 1.1854 0.0126 0.9140
5-Oxonorleucine 0.7914 1.0841 1.5066 0.1418 0.9032
(5R)-2-(3,4-Dihydroxyphenyl)-N-{3-[(3-{(Z)-[(2,3-dihydroxyphenyl)(hydroxy)methylene]amino}propyl)amino]propyl}-5-methyl-4,5-dihydro-1,3-oxazole-4-carboximidic acid 0.6682 1.3824 1.3420 0.0096 1.0088
(5S)-5-(D-Galactopyranosyloxy)-L-lysine 0.7294 1.0845 1.5757 0.0019 1.0243
6,15-diketo-13,14-dihydro Prostaglandin F1a 1.5131 0.8774 1.1261 0.0446 0.6639
6-(1H-Pyrrol-1-yl)norleucine 0.6125 1.3579 1.4877 0.0079 0.8469
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione 0.9510 1.1357 1.3585 0.0015 0.8855
6-APA 0.4250 2.6437 0.3043 0.0101 1.0572
6-hydroxy-4a-(hydroxymethyl)-5-methyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one 1.5715 0.3651 1.5203 0.1995 0.6583
6-Ketoprostaglandin F1a 1.4608 0.7946 1.2036 0.0025 0.8502
6-Methylnicotinamide 0.7611 0.2533 2.4712 0.0099 0.7760
6-Methylquinoline 1.0281 1.0903 1.3295 0.0014 0.8789
6-Oxo-pipecolinic acid 0.7398 1.1480 1.4694 0.0563 1.0506
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol 1.5423 0.2454 1.7137 0.0517 0.6947
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid 0.2216 0.4471 2.8075 0.0103 0.7992
7-Mercaptoheptanoylthreonine 0.4926 0.6845 2.3329 0.0313 0.6935
7-Methylguanine 1.0187 0.7937 1.6489 0.0049 0.8419
7-Octene-3,5-diyn-1-ol 0.9717 1.0657 0.9940 0.2776 1.6439
8-Amino-7-oxononanoic acid 0.5797 0.8490 2.0076 0.0445 0.8650
8-Azabicyclo[3.2.1]octane-1,2,7-triol 0.4893 1.9684 0.8457 0.2754 0.9663
8-Hydroxy-2-quinolinyl beta-D-glucopyranosiduronic acid 0.8915 0.2769 2.3195 0.0231 0.7573
8-Hydroxy-5,6-octadienoic acid 0.4802 0.5446 2.4159 0.1205 0.7777
8-(Methylsulfinyl)octyl isothiocyanate 0.9083 1.1340 1.3771 0.0077 0.9441
9-Anthroic acid 1.0074 1.3207 1.1041 0.0003 0.9189
9-(beta-D-Arabinofuranosyl)-2-imino-3,7,8,9-tetrahydro-2H-purin-6-ol 0.5823 1.2639 1.5278 0.0011 1.0639
a-Aspartylphenylalanine 0.7475 1.3661 1.3200 0.0279 0.8883
Acetanilide 0.7807 0.9276 1.7517 0.0334 0.8168
Acetophenone 0.8561 1.5058 0.9535 0.2228 0.9886
Acetylarginine 0.6704 0.9132 1.8553 0.0021 0.9007
Acetylhistamine 0.5790 1.1508 1.7049 0.0090 0.9043
ACETYL PROLINE 0.4949 1.0419 1.7272 0.1628 1.1770
Adenine 0.5776 1.2729 1.5214 0.0006 1.0696
Adenosine 0.5825 1.2639 1.5275 0.0011 1.0639
Adenosine 3^5^-cyclic monophosphate 0.7482 1.5039 1.1701 0.0012 0.9434
Adenosine 5^-monophosphate 1.0799 1.2606 1.0680 0.0016 0.9773
Adenosine diphosphate (ADP) 1.0935 1.0411 1.1838 0.0105 1.1935
Adenylsuccinic acid 1.2477 0.6168 1.6211 0.0037 0.7826
ala-met 1.1033 1.6543 0.7332 0.0048 0.7683
ALA-PRO 1.6304 0.9239 0.9346 0.0297 0.7477
Ala-Tyr 1.3295 1.1435 0.9512 0.0027 0.9370
Alitame anhydrous 2.5258 0.2485 0.7762 0.0357 0.5882
Alovudine 0.6295 1.2166 1.5397 0.0043 1.0312
.alpha.-Apocholic acid 0.4055 1.1398 1.8840 0.0311 0.8959
Andrographolide 0.3682 0.3188 2.8787 0.0841 0.5014
anthramycin 1.0639 0.9352 1.5190 0.0179 0.6869
Anthranilic acid 1.0234 0.8062 1.5804 0.0260 0.9491
APM 0.5721 0.6389 2.0545 0.1153 1.2210
apronalide 0.3066 0.4375 2.7595 0.0883 0.6525
Arg-Arg 0.6279 0.6337 2.1604 0.0301 0.9147
ascopyrone M 0.9083 1.3257 1.2283 0.0007 0.8435
asn-leu 0.9420 1.2370 1.3276 0.0161 0.7175
asn-phe 0.9610 1.1668 1.3174 0.0121 0.8750
asp-leu 0.8496 1.0670 1.5283 0.0101 0.8778
Azelaic acid 1.2498 0.7902 1.3597 0.1411 0.8599
b-Angelica lactone 0.9447 0.7599 1.6496 0.1880 0.9267
Basic Violet 1 0.7759 1.5134 1.2301 0.1161 0.5853
Benzaldehyde 1.0014 1.0328 1.3698 0.0100 0.9801
Benzil 0.9877 1.3871 1.0269 0.0093 0.9864
Benzoxazolone 0.4093 2.0035 0.9734 0.0023 1.0320
Benzyl butyl phthalate 0.8281 0.7092 1.8993 0.0103 0.8979
Bethanidine 0.7234 0.9324 1.8858 0.0143 0.6318
Bialaphos 0.2334 0.7401 2.2304 0.0093 1.4810
Bis(4-ethylbenzylidene)sorbitol 0.7105 1.3281 1.2098 0.5494 0.8296
Bis(methylbenzylidene)sorbitol 0.8536 1.4900 0.9664 0.2371 0.9878
Boc-Asn-Oh 0.4974 0.9352 2.0048 0.0057 0.9010
Boc-Asn-ONp 0.5539 1.1628 1.7617 0.0110 0.7930
Bolandione 0.1567 0.1395 3.1806 0.0683 0.7396
Butabarbital 0.6747 1.1947 1.6029 0.0699 0.7493
Butyl isothiocyanate 0.4766 2.3792 0.5210 0.0660 0.9920
Butylparaben 0.5916 0.2639 2.6226 0.1656 0.6391
C8-HSL 0.5962 0.6620 2.1562 0.1962 0.7680
Caffeine 1.0392 1.3060 1.0633 0.0008 0.9779
cambendazole 1.0554 1.1695 1.2235 0.0115 0.8675
Capryloylglycine 1.1837 0.8679 1.2519 0.3902 0.8511
Carboprost Methyl 0.0879 0.9163 2.3747 0.0328 1.0199
Carvone 0.9699 1.0951 1.1171 0.4381 1.1068
Cefuroxime pivoxetil 1.2811 1.2773 0.8300 0.0012 1.0279
Cervonoyl ethanolamide 0.0436 0.6186 2.7927 0.0127 0.8500
cipamfylline 0.3950 1.7497 1.3664 0.0189 0.7034
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid 0.5547 0.5155 2.2839 0.5339 0.5809
cis-acetylacrylic acid 0.7151 0.9678 1.5555 0.5179 0.8861
Clavamycin E 0.8406 1.2033 1.3981 0.0009 0.8941
clomazone 2.9006 0.4932 0.0289 0.0065 0.9367
Codonopsine 1.1138 1.6610 0.6182 0.0217 0.9957
Coproporphyrin III 0.6980 1.6002 1.1814 0.0030 0.7979
Corticosterone 1.3995 1.3194 0.6789 0.0016 1.0040
Creatine 0.8768 1.2998 1.1323 0.0112 1.2166
Creatinine 0.9322 0.7377 1.7810 0.0027 0.8701
Cromakalim 0.4772 0.5046 2.5828 0.1213 0.4672
Crotamiton 1.0580 1.1373 1.4584 0.0648 0.3007
Crotanecine 0.7018 0.6236 2.1466 0.0683 0.7519
Crotonic acid 0.8540 0.9250 1.7136 0.0390 0.7296
CU8460000 1.0911 1.1165 1.1823 0.0310 0.9941
cuscohygrine 0.9050 1.0155 1.5413 0.1758 0.6697
CY9070000 0.4345 0.3504 2.5816 0.3602 0.7236
Cyclic ADP-ribose 1.2812 0.9838 1.1583 0.0074 0.9344
Cyclohexanecarboxylic acid 0.4282 0.4857 2.5517 0.0851 0.7507
Cyclohexylamine 0.5467 0.6079 2.2591 0.0007 0.9650
Cyclopamine 1.8503 1.4330 0.1785 0.0012 0.8442
Cyclo(phenylalanyl-prolyl) 0.5835 0.7107 2.1776 0.0185 0.8020
CYCLO(-SER-TYR) 1.0419 0.6702 1.7657 0.0210 0.7845
Cyprodenate 1.5364 1.1220 0.7899 0.2255 0.6536
Cys-pro 0.4507 2.4517 0.4765 0.0004 1.0526
Cystathionine ketimine 1.1957 1.1842 1.1117 0.0113 0.7597
Cysteinylglycine 0.7718 1.7595 1.0247 0.0140 0.5960
cystine 0.7648 1.6283 0.9712 0.0017 1.0877
Cytidine 0.9689 1.0962 1.4171 0.0019 0.7927
Cytosine 1.0880 1.2230 1.1239 0.0016 0.9111
dacisteine 1.2835 0.7548 1.4961 0.0028 0.6614
Decanamide 0.9750 1.2855 1.1912 0.2646 0.6061
Desthiobiotin 0.6291 1.2845 1.4875 0.0284 0.9689
D-Glucose 6-phosphate 0.9423 1.1398 1.2769 0.0248 1.0775
Diaminopimelic acid 0.0831 0.2961 3.1417 0.0094 0.6884
Dicyclohexylamine 1.3691 1.6505 0.4072 0.0485 0.8844
Dicyclomine 0.6053 0.5792 2.2559 0.0643 0.8347
Diethanolamine 0.8196 1.3327 1.2038 0.0059 1.1038
Dihydrothymine 1.0068 1.1123 1.2837 0.0124 0.9807
Dihydroxycarbazepine 0.3414 2.3002 0.6308 0.0154 1.3038
Dimetridazole 0.8747 1.0750 1.4169 0.1866 0.8969
DL-2-(acetylamino)-3-phenylpropanoic acid 0.9513 0.7786 1.7166 0.0264 0.8574
DL-a-Aminocaprylic acid 1.5261 0.6942 1.2167 0.0104 0.8972
DL-Ala-DL-Phe 0.9154 1.4004 1.1176 0.0199 0.8965
DL-Alanine 0.7216 0.7404 1.4724 1.5225 0.6413
DL-Cerulenin 0.2430 0.7633 2.4537 0.0689 0.7811
DL-Glutamic acid 1.1715 1.0462 1.0991 0.0022 1.2058
DL-Glutamine 1.1317 0.8869 1.1402 0.2172 1.3857
DL-Homocysteine 0.7014 0.8006 1.8019 0.0969 1.1433
DL-Homoserine 1.1386 0.9985 1.1321 0.0842 1.2428
DL-Lysine 0.8170 1.3277 1.1954 0.0064 1.1433
DL-Ornithine 1.0889 0.9991 1.2907 0.0102 1.0432
DL-Serine 1.0138 0.8954 1.4331 0.0071 1.1373
DL-Tryptophan 1.0372 1.1047 1.2927 0.0004 0.9130
D-lysopine 1.1727 1.3857 0.8489 0.0593 0.9226
Docosahexaenoic acid ethyl ester 0.2835 0.8192 2.4307 0.0984 0.5680
D-Panthenol 1.6222 0.5634 1.3349 0.0924 0.6062
D-PANTOTHENIC ACID 0.9209 1.0917 1.4228 0.0007 0.9108
D-(+)-Pipecolinic acid 1.2512 1.2207 0.8063 0.0039 1.3007
D-(+)-Proline 1.3944 1.0273 1.0171 0.0030 0.9000
D-(+)-Pyroglutamic Acid 1.1004 1.2531 1.1866 0.0212 0.6286
D-Serine 1.0942 0.9479 1.2634 0.1003 1.1358
(E,E)-2,4-Dodecadienal 1.6888 0.9765 0.8205 0.0380 0.7474
Elaeokanine C 1.4939 0.5011 1.2919 0.5909 0.6918
ELK 0.9022 1.4215 1.1162 0.0034 0.8970
ent-prostaglandin E2 0.9507 0.7094 1.7952 0.0153 0.8463
epi-jasmonic acid 1.0625 0.9085 1.0024 0.8339 1.2326
epsilon-Caprolactone 1.0463 1.3138 0.6124 0.8748 1.1938
Eslicarbazepine acetate 0.3142 0.4757 2.7770 0.0483 0.5343
Ethyl caproate 0.9724 0.9748 1.0990 0.5004 1.3840
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate 0.6585 0.6305 2.1682 0.0293 0.8275
Ethyl N-ethylanthranilate 1.1012 1.2101 1.3617 0.0637 0.2538
FAD 1.0773 1.0379 1.3493 0.0086 0.8302
Fenfuram 0.7215 1.3598 1.4586 0.1750 0.4752
Flavin mononucleotide (FMN) 0.9472 0.5872 1.9113 0.0092 0.8764
flucindole 0.1751 0.3308 3.0275 0.0425 0.6242
fMet 0.8283 0.6204 2.0712 0.0451 0.6552
Formylkynurenine 1.0767 1.1352 1.1752 0.0045 1.0277
fosfocreatinine 0.8932 0.9963 1.4908 0.0608 0.9884
fructoselysine 6-phosphate 0.8072 0.9969 1.5657 0.0148 1.0608
gamma-Aminobutyric acid 0.9886 1.2737 1.0532 0.0982 1.1132
gamma-L-glutamyl-L-tyrosine 1.1864 1.1660 1.0899 0.0217 0.8725
gln-phe 1.1300 1.1511 1.1660 0.0230 0.8592
glu-leu 0.8862 0.9897 1.5878 0.0025 0.8381
Glutaric acid 0.4084 0.8592 2.1271 0.2103 0.8028
glu-tyr 0.8383 0.8079 1.7576 0.0044 0.9860
Glycylglutamic acid 0.6233 0.9204 1.7797 0.0458 1.1457
Glycyl-L-leucine 0.9060 1.4983 1.0282 0.0151 0.9037
Gly-l-pro 1.0064 0.9046 1.5072 0.0196 0.9350
Gly-Phe 1.0307 0.9391 1.4604 0.0620 0.8627
Golotimod 0.8062 1.0472 1.5950 0.0044 0.8747
Guanine 0.7719 0.9976 1.7300 0.0289 0.7223
Guanosine 0.8012 1.3042 1.3303 0.0010 0.9097
Guvacoline 0.6310 1.0383 1.7861 0.0727 0.7886
Harmalane 0.7463 0.9492 0.9901 0.0130 2.7730
Hexadecanamide 1.1237 0.4658 1.8707 0.1263 0.7232
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid 0.5619 0.9590 1.9421 0.0196 0.8228
Hexanal 0.9630 0.9849 1.0856 0.4743 1.4420
Hexylbenzene 1.5953 0.8620 1.1254 0.0366 0.5068
HIAA 0.3350 1.4019 1.7933 0.0032 0.6714
Hippuric acid 1.6101 1.2890 0.4945 0.0006 1.0154
His-pro 0.9664 0.9927 1.4220 0.1095 0.9380
Histamine 0.5046 0.6060 2.3356 0.0193 0.8652
Homocitrulline 1.1104 0.9763 1.2463 0.0141 1.1534
Homo-L-arginine 1.1156 1.0475 1.2804 0.0251 0.8663
homomethionine 0.7572 1.1596 1.1411 0.0370 1.8182
Hopantenic acid 0.3278 0.6066 2.4898 0.0145 0.9251
Hydroxytyrosol 0.5107 0.5589 2.1492 0.8500 0.6032
Hypoxanthine 1.0211 1.1042 1.3017 0.0010 0.9313
Idoxifene 1.3901 0.7564 1.3420 0.0279 0.7507
IN00458 1.0377 1.5992 0.8224 0.0179 0.8339
Indirubin 0.1195 0.7043 2.7820 0.0267 0.4588
Indole-3-acetaldehyde 1.0446 1.1436 1.2157 0.0017 0.9886
Indole-3-acetic acid 0.8766 1.0409 1.0494 0.0037 2.0790
Indole-3-lactic acid 1.0743 0.8713 1.4870 0.1172 0.8014
INOCOTERONE ACETATE 0.3410 0.3221 2.8596 0.2552 0.4380
Inosine 0.9944 1.1681 1.3025 0.0006 0.8369
Inosine-5^-monophosphate (IMP) 1.6595 0.9159 0.8837 0.0039 0.8483
IPH 0.0209 0.0287 3.5099 0.0045 0.5967
Iprofenin 0.1119 0.0970 3.3526 0.0637 0.5325
Isoputreanine 1.1827 0.8649 1.4034 0.0270 0.8454
Isovalerylglutamic acid 0.9424 0.9515 1.5482 0.0083 0.8863
ISOXYL 0.4737 0.7558 2.2486 0.0016 0.8032
jasminine 0.7439 1.4197 1.3152 0.0088 0.7942
Kanosamine 0.9052 1.3296 1.2277 0.0009 0.8427
Ketamine 2.4600 0.8519 0.0507 0.0024 1.0913
Ketoprofen 1.5455 0.9025 0.9745 0.0923 0.8513
Lactamide 1.1361 0.9398 1.2269 0.0328 1.2101
L-(+)-Arginine 1.0206 1.0686 1.2669 0.0350 1.0747
L-(+)-Aspartic acid 1.4176 0.9178 0.9749 0.0378 1.1863
L-Aspartic acid 1.1918 1.1898 0.9442 0.0196 1.1658
Lauramide 1.4196 0.9067 1.0321 0.2641 0.8397
L-coprine 0.2042 0.3935 2.8703 0.0352 0.7950
L-(+)-Cysteine 0.9859 1.1182 1.3336 0.0051 0.9007
L-Cysteinylglycine disulfide 0.7138 1.7077 0.8509 0.0075 1.3114
L-Cystine 0.8905 1.5392 0.9897 0.0136 0.9380
L-decyline 1.2976 1.4933 0.6795 0.0426 0.7814
L-Dopa 1.0271 0.9664 1.4429 0.0058 0.9029
lentiginosine 0.5088 0.3504 2.6344 0.0279 0.7382
Leucylasparagine 0.5330 0.8506 2.0695 0.0049 0.8624
Leucylproline 1.3217 0.8812 1.2459 0.0030 0.8749
Leucyltyrosine 0.8934 1.5290 0.9963 0.0121 0.9410
leu-cys 1.0313 1.8348 0.5495 0.0826 0.8783
Leu-Gly-Pro 0.5506 0.7893 2.0522 0.0548 0.9649
Leu-Leu 0.8699 1.4974 1.0669 0.0028 0.9116
leu-phe 0.7293 1.4833 1.2463 0.0098 0.8432
Leu-pro 0.9738 0.8975 1.5738 0.0016 0.8855
Leu-Val 0.8492 1.5903 0.9815 0.0030 0.9444
Levetiracetam 0.4521 1.5489 1.4455 0.0467 0.8371
L-gamma-Glutamyl-L-leucine 0.4872 0.8254 2.1835 0.0066 0.7532
L-gamma-Glutamyl-L-methionine 0.8226 1.2278 1.3531 0.0057 0.9857
L-Glutamic acid 0.9424 1.2645 1.1607 0.0186 1.0623
?-L-Glutamyl-L-glutamic acid 0.9777 1.0850 1.2219 0.0125 1.2759
L-Glutathione oxidized 1.7803 0.2301 1.5073 0.0052 0.7006
L-Histidine 0.9530 1.0617 1.3447 0.0071 1.0944
L-Hydroxyproline 0.7712 0.9476 1.6514 0.0466 1.0280
L-Isoleucine 0.3654 1.3135 1.8485 0.0036 0.6780
L-Kynurenine 0.3549 0.7499 2.3375 0.0017 0.8928
LLK 0.7203 1.2198 1.4845 0.0333 0.9051
L-(-)-Methionine 1.2781 0.9590 1.2335 0.0002 0.8232
LNK 0.6564 1.2698 1.3089 0.0018 1.4105
Lotaustralin 0.7192 1.7179 0.9833 0.0043 0.9448
L-Phenylalanine 1.0380 1.0108 1.3664 0.0007 0.9612
L(-)-Pipecolinic acid 1.2420 1.1946 0.9931 0.0154 0.9103
L-pyrrolysine 0.8338 1.5984 0.9091 0.0471 1.0995
LQ1825000 1.0766 1.1051 1.2200 0.0045 0.9913
L-Theanine 0.6883 1.6156 1.1994 0.0262 0.7155
L-(-)-Threonine 0.9707 1.1037 1.2648 0.0147 1.1372
L-Tyrosine 1.1296 0.9686 1.3676 0.0022 0.8334
L-Tyrosine methyl ester 0.6583 1.5972 1.1883 0.0041 0.8863
Luciduline 1.6860 0.6492 1.2224 0.0317 0.5741
LV1850000 0.5459 0.5096 2.2850 0.5596 0.5895
(-)-Lycodine 1.3532 0.7212 1.3057 0.1994 0.8502
Maleamic acid 1.1966 0.9062 1.1407 0.2092 1.1820
Marimastat 0.6015 1.6132 1.2719 0.0096 0.7740
mebutamate 1.1411 1.2981 1.0122 0.0075 0.8639
mephenesin 0.5933 0.5935 2.0270 0.8715 0.5939
meprobamate 1.0138 1.1062 1.3396 0.0084 0.8426
Metalaxyl 1.3456 1.0847 0.9952 0.0343 0.9022
metharbital 0.3410 0.4278 2.7214 0.0477 0.7268
Methionyl-4-hydroxyproline 0.6757 1.3006 1.3759 0.0107 1.1088
Methotrexate 0.6535 1.1679 1.5423 0.0144 1.0763
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 0.2294 0.2624 3.0611 0.0362 0.5817
Methyl alpha-aspartylphenylalaninate 0.8553 1.0117 1.5654 0.0047 0.9141
Methylhistamine 0.8515 0.4671 2.1458 0.2188 0.6200
Methyl indole-3-acetate 0.5283 0.8532 1.9489 0.0742 1.0998
Methylone 0.5372 2.0543 0.9497 0.0065 0.6405
methyprylon 1.1681 0.8682 1.2422 0.4367 0.8672
met-pro 1.9570 0.8678 0.6154 0.0295 0.8701
met-tyr 0.9716 1.5948 0.8627 0.0154 0.9119
MFCD00010610 1.2859 0.7190 1.4178 0.1551 0.7880
MFCD00025555 0.7376 1.4673 1.2797 0.0063 0.7819
MFCD00041932 0.3176 0.3311 2.8327 0.2252 0.5711
MFCD00070502 0.9349 1.3020 1.1573 0.0755 0.9390
MFCD01318772 0.4383 0.6695 2.3457 0.1045 0.7619
MHPG 0.7002 0.8352 1.4760 1.4826 0.4888
ML-236C 0.3202 0.3368 2.8960 0.1723 0.4451
MO4650000 1.3020 0.6130 0.9057 0.2524 2.1957
Monobutyl phthalate 1.1597 0.8908 1.3370 0.0852 0.9459
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide 0.7721 1.4959 1.1652 0.0140 0.9032
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-2-naphthalenyl}methanesulfonamide 0.9412 0.9031 1.5686 0.0876 0.8802
N~2~-Acetyl-L-ornithine 0.5245 0.6022 2.3304 0.0370 0.8202
N-(2-Amino-3-methylbutanoyl)glutamine 0.7634 1.1827 1.4489 0.0041 1.0083
N-(2-Amino-4-methylpentanoyl)glutamine 0.8576 0.9306 1.6607 0.0092 0.8686
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzamide 0.6675 1.0055 1.7905 0.0224 0.8189
N-(2-Hydroxyethyl)glutamine 0.8161 0.8776 1.7377 0.1451 0.7764
N-(2-Methylbutyl)-N^-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiourea 0.8722 0.8657 1.7630 0.0049 0.7428
N-[(2S)-2-Hydroxypropanoyl]methionine 1.5421 0.8587 1.0425 0.0199 0.8717
N-(3,4-Dihydroxyphenyl)glutamine 0.4902 0.7660 2.1756 0.0045 0.9160
N-(3-acetamidopropyl)pyrrolidin-2-one 0.7622 1.2052 1.4716 0.0239 0.8785
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-morpholinoacetamide 2.9785 0.2268 0.2238 0.2321 0.6951
N4-Acetylcytidine 0.9668 0.9863 1.5269 0.0049 0.7952
N6-Me-Adenosine 1.0027 0.7941 1.6755 0.0026 0.8165
N-Acetylhistamine 0.7106 0.3564 2.4483 0.0179 0.6940
N-Acetyl-L-cysteine 0.8767 1.6888 1.0891 0.0066 0.3568
N-acetyl-LL-2,6-diaminopimelic acid 0.6458 0.9569 1.7977 0.0108 0.9880
N-Acetyl-L-leucine 1.2419 1.0970 1.0919 0.1486 0.7744
N-Acetylnorvaline 0.6509 0.6807 2.1314 0.0210 0.8215
N-Acetylserotonin 0.7582 1.7266 0.8994 0.0093 1.0302
N-Acetylvaline 0.8713 1.0762 1.5331 0.0237 0.7748
N-Acetylvanilalanine 1.2016 0.6507 1.4388 0.0275 1.2449
Nadolol 0.6928 1.3014 1.5334 0.0207 0.6606
N(alpha)-gamma-L-glutamylhistamine 0.4770 0.5937 2.3661 0.0022 0.9059
N-(Carboxyacetyl)phenylalanine 1.5956 0.9434 0.9065 0.0081 0.8780
N-(Carboxymethyl)norleucine 0.7929 1.0283 1.6276 0.0084 0.8694
Ne-Acetyllysine 0.9088 0.9296 1.6315 0.0210 0.8043
Nicotinamide 1.2089 1.1963 1.0217 0.0007 0.9320
Nitrendipine 0.5946 0.8755 2.1357 0.0364 0.4491
Nitrosoguvacoline 0.4698 1.7873 1.0509 0.0397 1.1903
N-lauroylglycine 1.5753 0.5881 1.3260 0.0735 0.7028
(+)-N-Methylconiine 0.4517 0.7846 2.3903 0.0440 0.3893
N-Methylhexanamide 0.4417 0.6230 2.3825 0.0766 0.8053
N-Methylhistamine 0.8548 0.5194 2.0773 0.2458 0.6255
N,N-Diethylethanolamine 0.4758 0.8320 1.2314 0.0011 3.1509
N,N-dimethylarginine 0.7797 1.0906 1.5482 0.0012 0.9526
N-Nonanoylglycine 1.2924 0.9108 1.1648 0.2645 0.8154
Norketamine 2.4525 0.6741 0.3052 0.0141 0.9063
Northienamycin 1.4901 0.9660 1.0266 0.0342 0.7591
NP-001346 0.9003 1.4508 1.2309 0.0004 0.5448
NP-003399 0.0920 0.1459 3.2555 0.0085 0.7578
NP-011220 0.5412 0.6452 2.2554 0.0146 0.8811
NP-013176 3.2486 0.0905 0.1063 0.0081 0.8785
NP-013663 0.2069 0.1406 3.1469 0.0161 0.7477
NP-016455 0.4504 0.4181 2.6110 0.0394 0.7620
NP-017061 0.6590 0.4476 2.4230 0.0485 0.6276
NP-018716 1.3193 0.7265 1.4282 0.1268 0.6882
NP-020014 1.2151 1.1089 1.1391 0.0152 0.8270
NP-020078 1.5061 1.0117 0.9315 0.0205 0.8562
NP-021797 1.8990 1.0424 0.5677 0.0092 0.7181
N-Phenylacetylglutamine 1.0738 0.7214 1.6396 0.0195 0.8936
N-Propionylmethionine 1.4330 0.7156 1.3139 0.0256 0.8181
n-Ribosylhistidine 0.6965 1.1777 1.4639 0.0195 1.1353
NS1800000 0.7751 1.3286 1.2804 0.0457 0.9941
N-Stearoyltyrosine 1.2501 1.3643 0.8431 0.0004 0.8559
N-Succinyl-L-diaminopimelic acid 0.3897 2.0748 1.0324 0.0005 0.7570
N-(tert-Butoxycarbonyl)-L-leucine 1.1004 1.3982 0.9472 0.0004 0.8852
N-Tridecanoylglycine 1.7752 0.4506 1.3077 0.0331 0.6332
N-Undecanoylglycine 1.6726 0.6715 1.1827 0.0403 0.6427
Nupharidine 1.3333 1.1219 0.9818 0.3003 0.6073
nylon cyclic dimer 0.0311 0.0466 3.1471 0.2011 1.2368
O-(3-Carboxypropanoyl)homoserine 1.0229 1.3443 0.9443 0.0009 1.2203
Octodrine 0.9713 0.7076 1.0396 0.1858 2.5179
Oleamide 0.9319 0.7159 1.5435 0.7145 0.8072
Olodaterol 1.0632 1.0640 1.2232 0.1521 0.9719
ophthalmic acid 0.7205 0.4274 2.3290 0.0011 0.8066
Otonecine 0.8569 0.7235 1.8524 0.0148 0.9033
Oxcarbazepine 1.1570 1.3981 0.9708 0.0238 0.6614
Oxindole 0.8911 0.8574 1.7527 0.0179 0.7293
oxiracetam 1.0362 0.7973 1.5432 0.0586 0.9996
Palmitic Acid 1.0580 0.9734 1.1459 0.6887 0.8680
Palmitoleic acid 1.0944 0.9641 1.3394 0.2865 0.7186
Panthenyl ethyl ether 1.1268 1.1932 1.3287 0.0033 0.3751
Papaverine 0.2547 0.3412 2.8787 0.2053 0.6083
PEG-4 0.7858 0.8694 1.5945 0.5321 0.8436
PEG n5 3.3152 0.0669 0.0853 0.0319 0.7998
PEG n6 3.4064 0.0440 0.0334 0.0143 0.7762
PEG n7 3.3320 0.0673 0.0707 0.0087 0.8164
PEG n8 3.4124 0.0259 0.0221 0.0074 0.8416
pentahomomethionine 0.6014 1.2143 1.6879 0.0014 0.7396
pentobarbital 0.4891 1.8164 1.0160 0.0410 1.1552
PENTOTHAL 0.7668 1.4560 1.2286 0.0040 0.8674
Perazine 0.0503 0.0578 3.3726 0.1179 0.6803
Phenylacetylglycine 1.0569 0.7397 1.6749 0.0013 0.8200
Phenylalanylproline 1.1665 1.0950 1.1746 0.0223 0.8875
Phenytoin 1.6977 1.2950 0.5689 0.0151 0.5811
Phloretin 0.5461 2.4817 0.4059 0.0010 0.9147
Pholcodine 0.7648 1.2445 1.4109 0.0070 0.9426
Phthalic acid 1.2757 1.4481 0.7038 0.0099 0.9210
Pipecolic acid 0.8669 1.2812 1.2021 0.0025 1.1219
Piracetam 0.4503 1.6836 1.2863 0.0881 0.8612
porfiromycin 0.4518 0.4855 2.5677 0.0455 0.6920
PPG n5 1.3944 0.8529 1.0170 0.5095 0.8296
Pramiracetam 1.6896 0.8971 1.0086 0.0326 0.4792
Prenisteine 0.7535 1.5478 1.1341 0.0034 0.9082
Pro-Hyp 0.5101 1.4335 1.4856 0.0067 0.9199
Proline 1.1145 1.1634 1.3848 0.0532 0.2901
pro-met 0.5515 1.3653 1.5373 0.0002 0.8643
Pro-Pro 1.2317 1.0570 1.1365 0.0197 0.9174
Propylparaben 0.5247 0.8807 2.0433 0.1871 0.6911
Prostaglandin A2 1.4153 0.6827 1.3063 0.0407 0.9486
Prostaglandin E2 1.5526 0.6393 1.2528 0.0056 0.8827
Prostaglandin F2? 1.3634 0.9495 1.1260 0.0125 0.8902
Prostaglandin J2 1.4937 0.6840 1.2437 0.0104 0.9362
Pro-tyr 1.0244 0.7296 1.6736 0.0060 0.9251
PS(16:0/16:1(9Z)) 0.2054 0.6494 2.7368 0.1182 0.4030
Pyridoxal 5^-phosphate 1.0882 0.9100 1.4497 0.0045 0.8757
PYRIDOXAMINE 0.5433 0.7229 2.0833 0.2678 0.8584
Pyridoxamine 5^-phospate 0.9016 1.2014 1.1959 0.0428 1.2099
Pyrone 0.8316 0.7453 1.8979 0.0230 0.7899
QS4476500 0.4077 2.0130 0.9643 0.0019 1.0357
QV1MVO1R 0.9310 0.8126 1.7009 0.0033 0.8857
(R)-3-Hydroxy myristic acid 1.0041 1.0468 1.4143 0.0959 0.7410
(+)-Riboflavin 0.7864 1.2731 1.4062 0.0090 0.8266
riboflavin cyclic 4^,5^-phosphate 1.0758 0.7769 1.5786 0.0021 0.9196
Rimantadine 1.6982 0.6426 1.2267 0.0332 0.5480
R-Soterenol 0.6936 1.8183 0.8710 0.0192 1.0232
S-3-oxodecanoyl cysteamine 1.4438 1.3279 0.6384 0.0019 0.9730
S-Adenosylhomocysteine 1.1243 1.1262 1.2671 0.0002 0.7058
Salicylaldehyde 1.0313 1.3810 1.0053 0.0299 0.9260
S-Allyl-L-cysteine 0.5381 2.1960 0.7197 0.0008 0.8645
S-Benzyl-D-cysteine 1.2616 1.6849 0.4260 0.0464 1.0223
Sebacic acid 1.1348 0.8031 1.4993 0.0979 0.8091
Selexipag 0.4946 0.6881 2.4336 0.0231 0.4364
Ser-met 1.1129 1.1770 1.1629 0.0235 0.8445
ser-trp 1.1640 1.0827 1.1743 0.0379 0.9097
Shogaol 0.9744 0.5072 1.9835 0.0243 0.8128
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamothioate 0.5641 0.7968 2.1021 0.0033 0.8391
Sodium [dodecanoyl(methyl)amino]acetate 0.3281 0.7337 0.5403 0.0344 5.4602
Sorbic acid 0.5924 0.7006 1.7199 1.2887 0.6789
spermidine 0.6676 0.7359 2.1001 0.0227 0.7181
SSR161421 0.5214 0.7147 0.7379 0.0297 4.5354
Styrene 0.8656 1.4781 0.9637 0.2114 1.0202
Suberic acid 0.4738 0.5342 2.4536 0.0818 0.7643
Succinic anhydride 0.9959 1.1321 1.1988 0.0231 1.1597
Succinylacetone 1.1611 1.6575 0.7179 0.0761 0.5829
Succinyladenosine 1.0823 0.9969 1.3676 0.0056 0.8775
Sulcatol 2.4352 0.3503 0.2939 0.2343 1.5674
Taurine 0.9428 1.2014 1.1022 0.1634 1.2205
Taurocholic acid 1.1764 1.5171 0.6277 0.0311 1.1659
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate 0.3878 0.6435 2.4737 0.0048 0.7328
Tetraacetylethylenediamine 0.1843 0.1902 3.1384 0.0115 0.7062
Tetramethylurea 0.9205 1.0475 0.9526 0.0374 2.1609
Theophylline 1.0521 1.3158 1.0524 0.0269 0.9221
Thiorphan 1.7290 1.6841 0.0099 0.0013 0.9410
thiouridine 1.0914 0.7750 1.6479 0.0046 0.7098
thr-pro 0.4991 0.4413 2.5997 0.0145 0.6353
Thymidine 0.9279 1.1248 1.3824 0.0089 0.9036
Thymine 0.9198 1.1531 1.3595 0.0121 0.9068
Timonacic 0.7023 1.0834 1.5679 0.0066 1.1092
tioxidazole 0.3807 0.4300 2.6453 0.0588 0.8010
TKK 1.1265 1.3695 1.0765 0.2443 0.3243
trans-3-Hexenoic acid 1.0416 1.5654 0.7199 0.1645 1.0182
tricholomic acid 1.0226 1.2902 1.0866 0.0359 0.9658
Triethylene glycol monobutyl ether 1.0951 1.2448 1.3114 0.0403 0.3313
trihomomethionine 0.7006 1.2087 1.5632 0.0114 0.8074
trilobolide 1.6557 1.1448 0.6477 0.0018 0.8779
Trimethylenetetraurea 0.5921 0.8698 2.0453 0.0065 0.7257
Triphenyl phosphate 0.7494 1.5123 1.0758 0.1131 1.0431
Tris(2-chloroethyl) phosphate 0.1170 0.0915 3.3597 0.0186 0.5609
Tris(hydroxymethyl)aminomethane 0.3836 0.3050 1.9960 2.1664 0.6221
Troxipide 1.0698 1.6287 0.6950 0.0044 1.0118
Tyramine 0.8170 1.1051 1.5293 0.0443 0.8272
UNII:R3KSN48ZFJ 0.5656 1.2960 1.6011 0.0047 0.8384
Uracil 0.7913 1.1769 1.3941 0.0031 1.0912
ureidohomoserine 0.6880 1.8128 0.9362 0.0141 0.8932
Ureidopropionic acid 1.3634 0.9380 1.1798 0.0909 0.7060
Uric acid 1.2041 1.0889 1.1368 0.0012 0.9244
Urocanic acid 0.8877 1.2079 1.3291 0.0180 0.9202
UV9702000 0.4379 1.6830 1.2112 0.0454 1.1243
val-asn 0.9675 1.4491 1.0110 0.0066 0.9245
Val-Leu 1.0616 1.3401 1.0249 0.0016 0.9318
val-phe 1.2272 1.1750 1.0215 0.0156 0.9252
Val-pro 0.6997 0.7668 2.0219 0.0359 0.7434
Val-Ser 0.8584 0.9752 1.5836 0.0727 0.8845
Valylvaline 0.8227 1.3219 1.2255 0.0222 1.0523
Vanillin 1.2884 1.1864 1.2151 0.0967 0.1787
Veliparib 0.8240 0.7197 1.8634 0.1091 0.8735
Veronal 0.9655 0.9291 1.5231 0.0507 0.9050
vinylglycine 0.9020 1.3115 1.1282 0.3302 0.8155
Xanthine 1.2850 1.2063 0.9753 0.0006 0.8329
XT2570000 0.7676 0.9557 1.0314 0.0384 2.5749
Zalcitabine 0.6695 1.0815 1.6718 0.0025 0.9405
Zipeprol 0.1577 0.1877 3.1747 0.0220 0.6779
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment:HS14 | Source:OM | CF:OM
F2Treatment:HS21 | Source:OM | CF:OM
F3Treatment:LS | Source:OM | CF:OM
F4Treatment:n/a | Source:n/a | CF:OM
F5Treatment:n/a | Source:OM Pool | CF:OM
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