Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004138)

(Analysis AN006860)

Metabolite	Structure	F1	F2	F3
5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one	ME1101985	0.99	1.10	0.81
10-Undecenoic acid	ME1102410	1.15	1.16	0.37
6-(7-methyloctyl)-1H,3H,4H,6H-furo[3,4-c]furan-1-one	ME1102156	1.25	0.92	0.68
Bosentan	ME1101973	0.95	1.23	0.60
5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine	ME1102191	0.94	0.98	1.16
5-Phenylvaleric Acid	ME1102233	0.73	1.36	0.77
12-Oxo phytodienoic acid	ME1101781	0.97	1.21	0.61
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid	ME1101885	2.03	0.39	0.29
5-morpholino-2,4(1H,3H)-pyrimidinedione	ME1101517	0.86	0.66	1.98
2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid	ME1102265	1.36	0.82	0.69
Caprolactam	ME1101617	1.97	0.38	0.43
7-(2-aminophenyl)heptanoic acid	ME1101861	1.35	0.60	1.18
Agmatine	ME1101508	0.63	1.57	0.52
1,2-dihydroxyheptadec-16-yn-4-yl acetate	ME1102258	0.96	1.03	1.02
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-one	ME1101942	0.84	1.37	0.53
alpha-Farnesene	ME1102106	1.32	0.81	0.76
Artemisinin	ME1102051	0.98	0.98	1.09
11-Ketoetiocholanolone	ME1102415	0.51	1.00	1.97
Bilirubin	ME1102495	1.27	0.83	0.83
Bisphenol M	ME1101893	1.35	0.85	0.63
Bicine	ME1102128	0.87	1.13	0.97
Bicyclo prostaglandin E2	ME1101966	1.18	0.87	0.93
Ala-Leu	ME1102398	0.71	1.18	1.17
C-6 NBD ceramide	ME1101926	1.39	0.88	0.51
AKB48 N-(4-fluorobenzyl) analog	ME1101832	0.87	0.88	1.50
6-Pentyl-2H-pyran-2-one	ME1101852	0.89	1.29	0.60
APH	ME1102107	0.65	1.08	1.51
6-Methylquinoline	ME1101581	1.43	0.77	0.64
Asp-Phe methyl ester	ME1102411	1.21	0.68	1.27
Ala-Val	ME1101994	1.17	0.64	1.43
Arachidonic acid methyl ester	ME1102329	1.18	0.93	0.79
7-Ketolithocholic acid	ME1102379	1.07	0.92	1.03
Avocadyne 1-acetate	ME1101739	1.45	0.71	0.72
APK	ME1102310	1.23	0.61	1.38
Biliverdin	ME1101908	1.11	0.94	0.91
(5-L-Glutamyl)-L-Amino Acid	ME1102407	0.87	0.66	1.97
Amphetamine	ME1101486	1.21	1.19	0.20
Alanyltyrosine	ME1102409	0.57	1.35	1.09
Ala-trp	ME1102427	1.18	0.68	1.34
AMK	ME1101813	0.87	1.28	0.66
6-Deoxy-D-glucose	ME1102482	1.12	0.62	1.57
2-cyano-N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)benzenesulfonamide	ME1101762	0.73	1.11	1.28
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one	ME1102185	0.62	0.76	2.25
5¶¡-Dihydrotestosterone	ME1101659	2.18	0.28	0.21
ANH	ME1101756	0.88	1.35	0.49
5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile	ME1102235	1.30	0.83	0.76
(°¿)8-HEPE	ME1101666	1.31	0.87	0.65
5-Methyl-2^-deoxycytidine	ME1102034	0.88	1.10	1.02
5-methyl-N^-[3-(trifluoromethyl)benzoyl]-3-isoxazolecarbohydrazide	ME1101863	1.46	0.55	1.04
3-(4-pyridylmethylidene)chroman-4-one	ME1101895	1.31	0.61	1.23
5-Hydroxytryptophol	ME1102455	1.35	0.86	0.61
5-Methyluridine	ME1102430	0.90	0.84	1.55
1-benzyl-4-(4-nitrophenyl)piperazine	ME1101641	0.18	2.10	0.27
8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	ME1102118	1.19	0.92	0.79
(-)-Camphor	ME1101652	1.08	1.18	0.45
8-Aminooctanoic acid	ME1101929	1.41	0.80	0.64
Adenosine 3^5^-cyclic monophosphate	ME1101555	0.25	0.36	3.83
2-(cyclopropylimino)-3-(2-thienylmethyl)-1,3-thiazolan-4-one	ME1102346	0.80	0.87	1.67
Aflatoxin B1	ME1102103	0.44	0.38	3.42
Azilsartan	ME1101876	0.98	1.07	0.88
2-hydroxy-3,6-diphenylcyclohexyl acetate	ME1102211	0.82	1.22	0.88
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid	ME1101675	1.93	0.37	0.53
Anandamide (AEA)	ME1102457	1.88	0.49	0.37
6-Methylnicotinamide	ME1101525	1.14	1.03	0.67
Adenosine	ME1101556	0.67	1.36	0.87
3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione	ME1101764	0.91	1.16	0.85
Anacardic acid	ME1102334	0.96	1.11	0.85
ALK	ME1101770	1.25	0.51	1.55
Azetidine-2-carboxylic acid	ME1101824	1.14	1.01	0.71
All-Trans-13,14-Dihydroretinol	ME1101647	2.03	0.27	0.54
Arachidonoyl amide	ME1102119	1.44	0.72	0.74
9-Oxo-ODE	ME1101661	1.62	0.68	0.46
7-Methylguanine	ME1101639	1.48	0.62	0.87
Arachidonoyl serinol	ME1101986	1.33	0.82	0.74
Apocynin	ME1101751	1.37	0.85	0.59
Azaspiracid-1	ME1102063	1.27	0.84	0.81
(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid	ME1101956	1.59	0.54	0.83
Arecoline	ME1101712	1.18	0.78	1.11
(1E)-5-hydroxy-1,7-diphenylhept-1-en-3-one	ME1102023	1.34	0.81	0.75
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one	ME1102009	0.76	1.24	0.96
7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine	ME1101918	0.93	0.88	1.40
8-Hydroxyquinoline	ME1101505	1.19	0.87	0.89
ANK	ME1102140	0.85	1.37	0.51
C-8 Ceramide-1-phosphate	ME1102352	1.30	0.69	1.08
4-Guanidinobutanoic acid	ME1102228	1.33	0.53	1.34
6 ¶¬-Hydroxycortisol	ME1102217	1.31	0.88	0.64
1-Aminocyclohexanecarboxylic acid	ME1102030	1.21	0.78	1.05
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one	ME1102087	0.95	1.06	0.97
1-Methylhistidine	ME1101911	1.06	1.07	0.73
1H-indol-3-yl(pyridin-2-yl)methanol	ME1101694	0.25	1.72	0.95
Cafestol	ME1101841	1.41	0.87	0.48
3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME1102290	0.99	1.00	1.02
7-methylpyrimido[4,5-d]pyrimidin-4-amine	ME1101822	0.97	1.04	0.98
1-[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]-3-methoxy-1-propanone	ME1102115	1.32	0.76	0.87
Bis(3,5,5-trimethylhexyl) phthalate	ME1102358	1.08	0.89	1.07
6-Hydroxynicotinic acid	ME1101838	1.21	0.97	0.67
1-(4-methylphenyl)-3,5-diphenylpent-2-ene-1,5-dione	ME1101828	1.34	0.77	0.83
1-(5,7-dichloro-2,3,4,4a-tetrahydro-1H-xanthen-4-yl)pyrrolidine	ME1101913	1.51	0.53	1.00
11(Z),14(Z),17(Z)-Eicosatrienoic acid	ME1102054	0.92	0.64	1.94
2-Arachidonoyl glycerol	ME1101980	1.43	0.63	0.95
15-Deoxy-¶§12,14-prostaglandin A1	ME1101585	1.73	0.74	0.13
1-adamantyl(piperidino)methanone	ME1102049	1.17	0.96	0.76
10b-methyl-1,5,6,10b-tetrahydroimidazo[2,1-a]isoquinolin-2(3H)-one	ME1101657	1.90	0.28	0.77
1,7-bis(3,4-dihydroxyphenyl)heptan-3-one	ME1102227	1.14	0.93	0.88
2-Hydroxycinnamic acid	ME1101546	1.10	0.78	1.26
Boldione	ME1101810	0.98	1.26	0.47
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine	ME1102061	1.16	1.02	0.63
¶¥-Aminobutyric acid (GABA)	ME1101483	1.18	0.85	0.96
2-Pyridylacetic acid	ME1102373	1.14	0.91	0.93
15-Acetyldeoxynivalenol	ME1101778	0.52	0.46	3.08
17alpha-Ethinyl estradiol	ME1102024	1.08	0.95	0.94
4-styrylpyridine	ME1101968	1.45	0.74	0.66
2-Hydroxyhippuric acid	ME1101572	1.27	0.90	0.69
9-Oxo-10(E),12(E)-octadecadienoic acid	ME1101592	0.97	1.38	0.25
Acetanilide	ME1101464	1.20	0.87	0.88
Betulin	ME1101633	2.27	0.18	0.25
1-(4-methylphenyl)-3-(2-pyridylthio)pyrrolidine-2,5-dione	ME1101681	0.16	2.12	0.25
Adenosine 5^-monophosphate	ME1101519	1.21	0.99	0.61
8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one	ME1101527	1.31	0.65	1.13
2-Linoleoyl glycerol	ME1101732	1.72	0.57	0.51
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol	ME1101738	0.98	0.99	1.07
4-Hydroxyquinoline	ME1102166	1.10	0.76	1.32
beta-Nicotinamide adenine dinucleotide phosphate	ME1102370	1.15	0.96	0.79
6-Hexanoyl-D-erythro-sphingosine	ME1101800	1.21	1.02	0.55
Aflatoxin G1	ME1102475	1.07	0.89	1.09
¶¡-Aspartylphenylalanine	ME1101549	1.01	0.73	1.55
6-phenyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-1-one	ME1102163	0.85	0.88	1.54
Androsterone	ME1102084	1.25	0.95	0.62
Andrographolide	ME1101768	1.29	0.81	0.84
Berberine	ME1101578	1.97	0.53	0.09
1-(2-furyl)pentane-1,4-dione	ME1102303	1.16	0.92	0.86
2-(1H-indol-3-yl)acetic acid	ME1101507	1.46	0.76	0.61
Aflatoxin M1	ME1102218	1.70	0.55	0.59
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one	ME1101693	1.38	0.77	0.76
2-(2-hydroxy-3-methylbutanamido)-4-methylpentanoic acid	ME1101826	0.73	1.34	0.80
(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one	ME1102001	1.41	0.84	0.53
2-{[2-(3-cyano-2-pyridinyl)hydrazino]carbonyl}benzoic acid	ME1101820	0.11	1.92	0.77
5¶¡-Pregnan-3,20-dione	ME1102280	1.01	1.15	0.66
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide	ME1102019	1.06	0.96	0.96
16(R)-HETE	ME1102209	1.01	0.95	1.09
2-Amino-1,3-octadecanediol	ME1101469	1.42	0.93	0.31
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid	ME1102015	0.84	1.15	0.99
11-Epiprostaglandin E1	ME1101602	2.18	0.28	0.23
3-hydroxy-3-methylpentanedioic acid	ME1102072	1.08	0.34	2.25
1,4-dihydroxyheptadec-16-en-2-yl acetate	ME1101759	0.89	1.36	0.44
4-Hydroxyindole	ME1101857	1.27	0.90	0.68
3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one	ME1102281	1.07	0.95	0.96
5-Methoxyindoleacetic acid	ME1101518	1.26	0.82	0.87
2,6-Xylidine	ME1101480	1.94	0.36	0.53
5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one	ME1101670	1.12	0.66	1.49
7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole	ME1102203	1.28	0.80	0.87
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole	ME1102205	1.49	0.47	1.17
5,6-Dimethylbenzimidazole	ME1102092	1.40	0.78	0.68
4-chloro-5-morpholino-2-quinoxalin-2-ylpyridazin-3(2H)-one	ME1102223	0.79	1.26	0.87
2,4-dihydroxyheptadec-16-en-1-yl acetate	ME1102338	1.20	0.91	0.81
2-acetamido-3-(4-methoxyphenyl)propanoic acid	ME1101774	1.31	0.88	0.65
3-(2-Hydroxyethyl)indole	ME1101927	1.34	1.02	0.29
4-{3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl}benzene-1,2-diol	ME1102316	1.10	0.99	0.82
2-chloro-6-{4-[(4-hydroxypiperidino)sulfonyl]phenoxy}benzonitrile	ME1102165	1.55	0.49	1.01
3-Methoxycinnamic acid	ME1101597	1.13	0.85	1.07
1,2-di(3,4-dimethoxyphenyl)diaz-1-ene	ME1102109	1.09	1.04	0.73
2,3-Dinor-11¶¬-prostaglandin F2¶¡	ME1102366	1.04	1.00	0.92
2,3-dihydroxypropyl 12-methyltridecanoate	ME1101716	1.00	1.12	0.74
2-Aminopimelic acid	ME1101767	1.15	0.84	1.04
3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridine	ME1101917	0.92	0.37	2.50
2-(carboxymethoxy)-4-methoxybenzoic acid	ME1102349	1.28	0.80	0.89
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid	ME1101621	1.70	0.74	0.19
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid	ME1102405	0.71	1.26	1.01
(+/-)12(13)-DiHOME	ME1102380	2.14	0.36	0.13
(2E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide	ME1102239	1.41	0.67	0.89
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one	ME1102117	0.99	0.95	1.11
Carbofuran	ME1102060	1.88	0.41	0.53
6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyridinecarbonitrile	ME1102071	1.02	0.82	1.36
1,2,3,9-tetrahydro-4H-carbazol-4-one oxime	ME1102238	1.22	0.65	1.31
11-Deoxy prostaglandin F1¶¡	ME1102340	1.02	0.98	0.99
1-(6-methyl-3-pyridyl)ethan-1-one O1-ethyloxime hydrochloride	ME1102206	1.33	0.80	0.77
2-Amino-1,3,4-octadecanetriol	ME1101481	1.37	1.01	0.26
2^-Deoxyadenosine	ME1101511	1.69	0.73	0.24
3^-Hydroxystanozolol	ME1102096	1.48	0.73	0.65
11-Deoxy prostaglandin F1¶¬	ME1102042	1.33	0.77	0.84
3-(4-hydroxy-3-methoxyphenyl)propanoic acid	ME1102342	1.00	1.15	0.67
2,2-dimethyl-6,7-di[(4-nitrobenzyl)oxy]chroman-4-one	ME1102162	0.72	0.62	2.35
2-(2-hydroxyphenyl)-3,4-dihydroquinazolin-4-one	ME1101834	1.51	0.67	0.71
2-(2-oxo-2-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}ethoxy)acetic acid	ME1102292	1.15	0.68	1.38
4-Phenyl-3-buten-2-one	ME1102153	0.86	1.14	0.98
4-Hydroxybenzaldehyde	ME1101562	1.05	0.87	1.18
1-[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-phenoxyethanone	ME1102306	1.16	0.84	1.04
AL 8810 Methyl ester	ME1102229	1.40	0.77	0.71
1-(4-fluorophenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]piperazine	ME1101957	1.23	0.92	0.71
Acetyl-L-carnitine	ME1101497	1.74	0.49	0.62
13-HPODE	ME1102028	1.10	0.97	0.86
2-Methylbutyroylcarnitine	ME1101658	1.01	1.27	0.42
Ala-Ile	ME1102389	1.24	0.69	1.19
3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one	ME1102282	1.16	1.03	0.62
Ala-Gln	ME1102439	1.05	0.64	1.66
3-[2-(2-pyridyl)ethyl]-2-thioxoimidazolidin-4-one	ME1102255	1.62	0.64	0.56
3-Hydroxylidocaine	ME1102088	1.98	0.40	0.37
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid	ME1102467	1.22	0.80	1.00
2-phenyl-4H-furo[2,3-h]chromen-4-one	ME1101735	0.79	0.61	2.22
(°¿)13-HpODE	ME1102149	0.87	0.55	2.22
2-((Dimethylamino)methyl)phenol	ME1101797	0.82	1.33	0.67
4-oxo-5-phenylpentanoic acid	ME1102174	0.93	1.20	0.70
3-Acetyl-11-keto-¶¬-boswellic acid	ME1102252	1.22	0.86	0.86
AKK	ME1102272	0.92	0.89	1.38
13(S)-HOTrE	ME1102435	1.01	1.20	0.57
Acetylcholine	ME1101576	0.87	1.01	1.24
1-Naphthol	ME1101837	1.53	0.54	0.94
Adrenosterone	ME1102444	0.82	1.15	1.03
1-(4-bromophenyl)-2-phenylethan-1-one	ME1102207	1.00	1.01	0.98
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one	ME1102132	0.98	1.12	0.78
1-morpholino-3-(4-nitrophenoxy)propan-2-ol	ME1101808	0.68	1.11	1.40
2-(14,15-Epoxyeicosatrienoyl) glycerol	ME1102208	0.70	0.78	2.07
22(S)-Hydroxycholesterol	ME1102131	1.31	0.79	0.84
4-(allyloxy)-1,2-dihydroquinolin-2-one	ME1102189	1.38	0.81	0.67
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic acid	ME1101999	0.70	1.69	0.11
(3S,9aS)-3-benzyl-octahydro-1H-pyrido[1,2-a]pyrazin-1-one	ME1102304	0.72	1.56	0.35
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole	ME1101722	0.77	1.33	0.74
2-Aminoadipic acid	ME1101552	1.03	1.10	0.73
2,4-Dihydroxybenzoic acid	ME1102423	1.05	1.24	0.39
23-Nordeoxycholic acid	ME1102489	1.06	1.04	0.80
2-[(3S)-1-(4-Chlorobenzyl)-3-pyrrolidinyl]-1-methyl-1H-benzimidazole	ME1102232	0.90	1.14	0.89
19-Nortestosterone	ME1102124	1.44	0.74	0.70
1-Methylxanthine	ME1102422	1.21	1.01	0.57
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid	ME1102298	1.29	0.89	0.67
4^-Methoxyacetophenone	ME1101959	1.35	0.80	0.73
2,3-Dihydroxybenzoic acid	ME1102184	1.13	1.04	0.66
4-(4-methoxyphenyl)-2-(methylthio)pyrimidine	ME1101801	1.49	0.87	0.32
3-Methylindole	ME1102077	1.12	0.91	0.96
4-(3,4-dimethylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one	ME1101727	1.66	0.72	0.31
1,8-Diazabicyclo [5.4.0]undec-7-ene	ME1102155	1.73	0.51	0.62
3-Methoxybenzaldehyde	ME1101520	0.98	1.16	0.70
3^,4^-Dihydroxyphenylacetone	ME1102240	1.31	0.76	0.90
1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one	ME1102202	1.94	0.37	0.52
2-(3-thienylcarbonyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile	ME1102362	0.85	1.22	0.83
3-Hydroxypicolinic acid	ME1102464	1.32	0.84	0.72
2-oxa-4-azatetracyclo[6.3.1.1~6,10~.0~1,5~]tridecan-3-one	ME1101773	1.40	0.87	0.48
2-Phenylacetamide	ME1102324	1.08	0.96	0.92
3-(4-ethoxyphenyl)-2-(tetrahydro-1H-pyrrol-1-ylcarbonyl)acrylonitrile	ME1102123	1.58	0.61	0.71
4-hydroxy-5,8-dimethylquinoline-3-carboxylic acid	ME1102081	1.02	0.65	1.71
2-piperidinobenzoic acid	ME1101802	1.60	0.66	0.56
2,3-Dinor-TXB2	ME1102371	0.91	0.93	1.32
2,6-Di-tert-butyl-1,4-benzoquinone	ME1102069	0.94	1.15	0.80
16-Heptadecyne-1,2,4-triol	ME1101854	0.72	1.53	0.42
16¶¡-Hydroxydehydroepiandrosterone	ME1101771	0.84	1.21	0.86
2-{2-[(1-methyl-1H-pyrazol-5-yl)amino]-2-oxoethoxy}acetic acid	ME1102141	1.29	0.87	0.70
5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one	ME1101859	0.52	1.38	1.13
15-epi Cloprostenol	ME1102237	0.93	0.70	1.78
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole	ME1102026	1.07	1.13	0.58
1-Palmitoyl-Sn-Glycero-3-Phosphocholine	ME1101579	1.36	0.72	0.91
5-Hydroxyomeprazole	ME1102058	0.88	1.24	0.72
3-pentadecyl-4,5,6,7-tetrahydrobenzo[d]isoxazol-4-one oxime	ME1101723	0.69	1.40	0.76
¶¥-L-Glutamyl-L-glutamic acid	ME1101902	0.99	0.79	1.46
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one	ME1101662	0.98	1.29	0.43
3-(1-benzylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine	ME1102320	1.33	0.78	0.83
1-(4-benzylpiperazino)-2-(pyridin-2-ylamino)propan-1-one	ME1101891	1.10	1.23	0.32
1-Palmitoylglycerol	ME1101577	0.91	0.97	1.22
4-Methoxycinnamic acid	ME1101510	0.81	1.33	0.66
3-[1-(dimethylamino)-1H-pyrrol-2-yl]-2-(2-furylcarbonyl)acrylonitrile	ME1102341	1.22	0.99	0.60
4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-1,3-dione	ME1101638	0.32	1.89	0.43
(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide	ME1102453	0.62	1.58	0.51
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine	ME1102056	0.97	1.05	0.95
3,3,5-trimethyl-3H,11H-pyrano[3,2-a]carbazole	ME1102289	0.63	1.51	0.64
4-Methoxycinnamaldehyde	ME1101714	0.88	1.40	0.39
19(R)-hydroxy Prostaglandin E2	ME1102136	1.23	1.09	0.35
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	ME1101612	0.87	1.07	1.11
2-(tert-butyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one	ME1102361	0.99	0.89	1.27
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid	ME1101788	1.21	0.96	0.66
2-oxopiperidine-3-carbohydrazide	ME1101952	1.20	0.73	1.18
3-(3-pyridinyl)propanoic acid	ME1101630	1.13	0.93	0.90
4-Acetamidobutyric Acid	ME1102428	1.00	0.92	1.17
3-methyl-5-phenylpyridazine	ME1101844	1.26	0.82	0.87
(+/-)11(12)-DiHET	ME1102494	1.03	0.99	0.96
4-Methyl-5-thiazoleethanol	ME1101479	1.28	0.85	0.77
4-Hydroxyretinoic Acid	ME1102368	0.94	1.04	1.03
4-Hexyloxyaniline	ME1101815	1.21	1.21	0.14
4-oxododecanedioic acid	ME1102251	1.04	0.88	1.19
3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-4H-chromen-4-one	ME1102101	1.25	0.68	1.20
3-Indoleacrylic acid	ME1101901	1.03	0.99	0.96
3-(dimethylamino)-1-(5-methyl-3-phenyl-4-isoxazolyl)-2-propen-1-one	ME1102110	1.46	0.63	0.89
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid	ME1101975	1.04	0.98	0.95
(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one	ME1101794	1.47	0.56	1.04
5,5-dimethyl-3-morpholinocyclohex-2-en-1-one	ME1101669	0.73	1.44	0.59
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid	ME1101965	1.16	0.85	0.99
4-morpholinobenzoic acid	ME1101492	1.33	1.08	0.17
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate	ME1102044	0.68	1.25	1.10
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile	ME1102006	1.28	0.81	0.85
3-Methoxytyramine	ME1102020	1.05	0.98	0.95
4-(Diethylamino)salicylaldehyde	ME1102099	1.33	0.77	0.83
2-Oxindole	ME1101646	0.91	1.09	0.98
3-Methylcrotonylglycine	ME1102491	1.05	0.99	0.92
4-(1H-pyrazol-1-yl)-N,N-bis(2-pyridinylmethyl)benzenesulfonamide	ME1101690	1.32	0.08	2.32
2-Methoxyresorcinol	ME1101969	0.98	1.03	0.98
2-Methoxyestradiol (2-MeOE2)	ME1101816	1.42	0.73	0.74
4-{2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl}benzonitrile	ME1101730	1.15	0.92	0.89
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide	ME1102353	1.33	0.79	0.82
4-(5-propyl-2-pyridyl)benzonitrile	ME1101833	0.76	1.43	0.54
5-amino-2-(dimethylamino)benzoic acid	ME1101792	1.67	0.50	0.75
2-[2-oxo-2-(2-pyridylamino)ethoxy]acetic acid	ME1102308	0.80	1.17	1.03
2-Styryl-1,3-benzoxazole	ME1102144	1.19	0.73	1.21
3-hydroxy-1,5-diphenylpentan-1-one	ME1102190	1.15	0.97	0.78
4-Hydroxypropranolol	ME1102196	1.50	0.71	0.63
3^,5,7-Trihydroxy-4^-methoxyflavanone	ME1101627	1.67	0.71	0.31
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME1101769	1.20	1.01	0.59
2-Phenylbenzimidazole	ME1101729	2.05	0.35	0.33
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid	ME1101825	0.82	1.29	0.74
2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}isoindoline-1,3-dione	ME1102108	1.25	0.66	1.23
2,4-Dimethylbenzaldehyde	ME1101755	1.23	0.87	0.84
3-Acetoxyurs-12-en-23-oic acid	ME1101718	0.72	1.35	0.79
2-{4-[(trifluoromethyl)thio]phenoxy}ethanohydrazide	ME1101783	1.76	0.39	0.81
4-Pregnen-17alpha,20alpha-Diol-3-One	ME1101765	0.85	0.96	1.38
3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile	ME1102195	1.14	1.13	0.45
5-amino-1-(4-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide	ME1102394	0.62	1.69	0.27
2-Methylpentanedioic acid	ME1102447	1.05	0.99	0.92
4-(benzoylamino)-3-hydroxybutanoic acid	ME1101611	1.17	1.15	0.35
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol	ME1102311	1.22	0.85	0.89
4-Methylvaleric Acid	ME1102059	0.99	1.02	0.98
9-HOTrE	ME1102474	1.07	1.05	0.76
2-Hydroxyphenylalanine	ME1102449	1.82	0.53	0.40
4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate	ME1101686	1.04	1.13	0.66
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	ME1102133	1.60	0.56	0.76
2,3,5,6-Tetramethylpyrazine	ME1101970	2.41	0.11	0.14
2-[4-(methylsulfonimidoyl)phenoxy]-5-nitropyridine	ME1101704	1.58	0.86	0.16
Acetophenone	ME1101462	1.99	0.47	0.18
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	ME1102146	0.87	1.30	0.63
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione	ME1101831	1.07	1.02	0.83
5^-Deoxy-5^-(Methylthio)Adenosine	ME1102214	0.96	0.89	1.31
Asp-Glu	ME1102437	1.13	0.68	1.43
1-(4-Methoxyphenyl)-2-propanone	ME1102463	0.90	1.28	0.59
Adipamide	ME1101719	0.94	1.29	0.49
4-(methylthio)-6-phenyl-2-(3-pyridyl)pyrimidine-5-carbonitrile	ME1101791	1.13	0.18	2.50
4-Nitrosodiphenylamine	ME1101874	1.35	0.83	0.68
1-(3,4-dimethoxyphenyl)ethan-1-one oxime	ME1102137	0.96	1.19	0.68
2,7,7-trimethyl-5,6,7,8-tetrahydroquinolin-5-one oxime	ME1101695	1.98	0.40	0.37
Alternariol	ME1101753	1.13	0.93	0.88
(9cis)-Retinal	ME1102160	0.97	0.99	1.07
2-chloro-N-[4-(4-methylpiperazino)phenyl]benzamide	ME1102337	0.82	1.15	1.04
3-(2-Naphthyl)-D-Alanine	ME1102490	1.31	0.82	0.76
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide	ME1101996	0.53	0.60	2.77
2-morpholino-1-phenyl-1-ethanol	ME1101655	0.92	1.17	0.80
4-(pentyloxy)benzene-1-carbohydrazide	ME1101845	1.65	0.63	0.53
4-Pyridoxic acid	ME1101570	1.11	1.10	0.58
2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}malononitrile	ME1101988	0.96	1.11	0.82
5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol	ME1102041	1.52	0.59	0.86
2-(1H-benzimidazol-2-yl)-N-[4-(benzyloxy)phenyl]benzamide	ME1102180	1.02	0.84	1.31
4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate	ME1102374	1.08	0.88	1.08
2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol	ME1101707	1.35	0.30	1.81
4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile	ME1101618	1.22	0.98	0.60
1-Stearoylglycerol	ME1101467	1.04	0.93	1.07
2-Methylbutyl beta-D-glucopyranoside	ME1102269	1.47	0.70	0.72
3,14-dihydro-15-keto-tetranor Prostaglandin E2	ME1102113	0.94	1.19	0.73
4-Phenylbutyric acid	ME1101560	1.48	0.62	0.87
15-Deoxy-¶§12,14-prostaglandin J2-2-glycerol ester	ME1102105	0.76	1.37	0.69
2-methyl-1,2-dihydrophthalazin-1-one	ME1102321	1.27	0.84	0.81
20-Carboxy-Leukotriene B4	ME1102074	0.88	1.23	0.73
1-[5-(2-phenyleth-1-ynyl)-2-thienyl]ethan-1-one oxime	ME1102150	0.89	0.78	1.69
2-[2-(2-pyridyloxy)ethoxy]pyridine	ME1101993	1.04	0.74	1.46
16,16-Dimethyl prostaglandin A1	ME1102222	0.98	1.03	0.98
2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile	ME1102066	0.66	0.55	2.62
4-methyl-5-phenoxy-6-piperidino-2-(trifluoromethyl)pyrimidine	ME1102086	1.81	0.48	0.53
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole	ME1101906	1.10	1.10	0.60
5(S)-HpEPE	ME1102171	1.32	0.68	1.05
6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4-one	ME1102347	0.93	0.61	1.97
6-cyclohex-3-enyl-5-nitropiperidin-2-one	ME1102327	1.22	0.93	0.73
Caffeine	ME1101516	0.71	1.26	1.01
5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one	ME1101737	1.40	0.84	0.56
5^-S-Methyl-5^-thioadenosine	ME1101534	0.07	2.31	0.02
6-Ketoprostaglandin F1¶¡	ME1102493	1.17	0.86	0.95
5-Hydroxyindole	ME1102299	1.04	0.91	1.13
Aloesin	ME1102194	0.98	1.03	0.98
(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopentanediol	ME1102050	0.93	0.72	1.74
5-OxoETE	ME1101860	1.41	0.66	0.92
Bz-RS-ISer(3-Ph)-Ome	ME1102416	2.00	0.36	0.41
7-Aminoclonazepam-d4	ME1102079	1.40	0.72	0.82
6-Acetylmorphine	ME1101699	1.44	0.98	0.17
7-hydroxy-6-methoxy-2H-chromen-2-one	ME1102170	1.06	1.05	0.77
2-Phenylglycine	ME1102483	1.19	0.72	1.23
5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one	ME1102035	0.86	1.05	1.17
Bialaphos	ME1101819	1.37	0.71	0.89
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acid	ME1102470	0.89	1.00	1.21
5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite	ME1102200	1.58	0.73	0.43
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid	ME1102359	1.14	0.36	2.09
6-(4-phenylpiperazino)hexanoic acid hydrochloride	ME1102008	0.92	1.26	0.60
5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	ME1102319	0.97	0.86	1.36
Acid Orange 156	ME1102094	1.18	0.79	1.11
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine	ME1101692	1.47	0.60	0.92
4-Guanidinobutyric acid	ME1101504	1.33	0.62	1.18
17-AAG	ME1102431	1.74	0.57	0.47
6-Hydroxymelatonin	ME1102440	1.09	0.83	1.18
5-fluoro AKB48 N-(4-hydroxypentyl) metabolite	ME1102075	0.73	1.26	0.96
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol	ME1102076	1.44	0.75	0.68
Carbaprostacyclin	ME1101715	1.08	1.07	0.69
(+/-)-Cannabichromeorcin	ME1102224	1.00	1.01	0.98
4-OHE2-1-N7Gua	ME1102167	0.94	0.89	1.36
5-trans prostaglandin F2¶¬	ME1101717	0.94	1.24	0.60
2-Deoxyuridine	ME1101842	1.05	0.79	1.33
4-Methoxybenzaldehyde	ME1101780	1.12	0.94	0.90
3-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-1-methyl-1H-pyrazol-5-amine	ME1102129	0.77	1.35	0.69
Boc-beta-cyano-L-alanine	ME1102412	1.00	1.19	0.60
4-Deacetylneosolaniol	ME1101843	0.81	1.20	0.94
7-Ketocholesterol	ME1101667	2.06	0.27	0.48
6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine	ME1102070	1.20	1.04	0.53
Cannabidiolic acid	ME1102458	1.53	0.59	0.83
1-(2-pyridin-2-yldiazenyl)-2-naphthol	ME1101625	0.09	2.25	0.11
Cadaverine	ME1101933	1.20	1.15	0.29
1-Phenyl-3-methyl-5-pyrazolone	ME1101506	1.18	0.90	0.86
2-Thio-acetyl MAGE	ME1101656	1.40	0.56	1.17

Factors:

F1	Sample source:human_stool \| Treatment:post-4-week cholestyramine
F2	Sample source:human_stool \| Treatment:pre-4-week cholestyramine
F3	Sample source:human_stool \| Treatment:ursodeoxycholic acid

Data matrix