Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002697)

Reversed phase POSITIVE ION MODE (Analysis AN004371)

Metabolite	Structure	F1	F2	F3
Hyodeoxycholic acid	ME636978	0.94	0.78	1.34
Guanidinosuccinic acid	ME636972	1.21	0.77	0.68
Homovanillic acid	ME636976	1.13	0.72	1.01
2-Phenylbutyric acid	ME636927	1.03	0.94	1.01
Uric acid	ME637040	0.99	1.00	1.02
(R)-Lipoic acid	ME636920	1.09	0.84	0.99
L-Glutamic acid	ME636990	0.84	1.12	1.19
Succinylacetone	ME637034	0.93	1.06	1.08
Phosphorylcholine	ME637019	1.03	1.10	0.80
3-Phenylbutyric acid	ME636936	1.01	0.98	0.99
Adenine	ME636943	1.12	0.68	1.08
Pyrrolidonecarboxylic acid	ME637024	1.09	0.54	1.27
Beta-N-acetylglucosamine	ME636953	1.05	0.94	0.97
Diacetyl	ME636964	1.12	0.78	0.99
Xanthine	ME637041	1.29	0.44	0.98
Pyroglutamic acid	ME637023	1.01	0.68	1.21
Propionic acid	ME637021	1.00	0.95	1.04
L-Leucine	ME636992	1.17	0.79	0.87
Phosphocreatine	ME637018	0.96	1.13	0.96
5-Hydroxy-L-tryptophan	ME636938	1.01	1.06	0.92
Inosinic acid	ME636983	0.95	1.12	0.96
Xanthosine	ME637042	1.23	0.38	1.16
Pyridine	ME637022	1.05	1.48	0.12
Pantothenic acid	ME637015	1.15	0.76	0.94
Daidzein	ME636961	0.78	1.25	1.19
Indoleacrylic acid	ME636981	1.03	0.94	1.00
All-trans-retinoic acid	ME636946	0.95	1.05	1.06
L-Kynurenine	ME636991	1.15	0.77	0.94
N-Acetylglutamic acid	ME637010	1.14	0.78	0.57
N-Methyl-D-aspartic acid	ME637011	1.24	0.41	0.28
N-Acetyl-L-phenylalanine	ME637009	1.13	0.68	0.99
2-Hydroxycaproic acid	ME636924	1.02	0.90	1.06
Creatine	ME636958	0.99	1.06	0.96
Alpha-Aspartyl-lysine	ME636947	0.97	1.00	1.06
3a,6b,7b-Trihydroxy-5b-cholanoic acid	ME636937	0.94	1.09	1.02
3-Oxocholic acid	ME636935	1.16	0.75	0.94
Levoglucosan	ME636999	1.13	0.92	0.75
Aminocaproic acid	ME636948	1.13	0.76	0.98
Cyclic AMP	ME636959	1.21	0.90	0.69
p-Octopamine	ME637014	1.00	1.18	0.91
L-Carnitine	ME636989	0.95	1.12	0.97
L-Tyrosine	ME636996	1.06	0.92	0.96
Sebacic acid	ME637030	1.03	0.97	0.96
2,4-Diaminobutyric acid	ME636922	0.98	1.01	1.03
Maltitol	ME637002	0.89	1.11	1.11
L-Tryptophan	ME636995	1.09	0.88	0.94
Cortexolone	ME636956	1.21	0.85	0.73
Aspartame	ME636950	1.18	0.71	0.93
Citric acid	ME636955	1.04	0.81	1.11
Dehydroascorbic acid	ME636962	1.01	0.94	1.05
2-Pyrrolidinone	ME636928	0.93	1.07	1.08
L-Valine	ME636997	0.87	1.11	1.15
Pyruvaldehyde	ME637025	1.00	0.94	1.07
Salicin	ME637029	0.99	0.94	1.07
Thymidine	ME637036	1.07	0.84	1.02
Salbutamol	ME637028	1.61	0.25	0.24
2-Ethyl-2-hydroxybutyric acid	ME636923	1.02	0.97	0.99
Aminopterin	ME636949	1.07	0.85	1.01
Acetone	ME636942	0.89	1.15	1.07
Ethanolamine	ME636966	1.04	0.82	1.10
Benzocaine	ME636951	1.24	0.65	0.87
3,4-Dihydroxyphenylglycol	ME636930	0.85	1.13	1.17
5-Methoxytryptophol	ME636939	0.88	1.05	1.19
Cis-Aconitic acid	ME636954	1.06	1.07	0.81
Dehydroepiandrosterone	ME636963	1.44	0.60	0.52
Leucinic acid	ME636998	0.97	1.09	0.96
3-Hexenedioic acid	ME636931	0.89	1.07	1.15
3-Hydroxy-4-methoxycinnamic aicd	ME636932	1.21	0.58	1.01
Urea	ME637039	0.90	1.08	1.12
2-Phenylaminoadenosine	ME636926	0.99	0.99	1.03
Progesterone	ME637020	0.93	0.99	1.15
Phenylacetaldehyde	ME637017	1.02	0.96	1.00
Guanosine	ME636973	1.18	0.28	1.00
Coumarin	ME636957	1.11	0.89	0.90
Glycerophosphocholine	ME636970	0.95	1.19	0.91
Trimethylamine	ME637038	1.48	0.31	0.73
Hydroxyindoleacetic acid	ME636977	1.12	0.88	0.88
Stearic acid	ME637033	1.03	0.89	1.06
Acetoin	ME636941	1.03	0.96	0.97
Cytosine	ME636960	0.88	1.01	1.23
Adenosine	ME636944	1.51	0.40	0.43
DL-2-aminooctanoic acid	ME636965	0.97	0.69	1.36
Levulinic acid	ME637000	0.90	1.12	1.08
Isobutyric acid	ME636984	0.98	1.10	0.94
L-Alpha-aminobutyric acid	ME636988	0.99	1.51	0.77
L-Phenylalanine	ME636994	1.14	0.78	0.93
Riboflavin	ME637026	1.08	0.81	1.02
Inosine	ME636982	1.24	0.40	1.12
Homocysteine	ME636975	1.13	0.80	0.84
Gluconolactone	ME636968	0.79	2.68	NA
7a-Hydroxy-3-oxo-5b-cholanoic acid	ME636940	0.97	0.76	1.29
Benzoic acid	ME636952	1.05	0.81	1.09
PC(18:1(9Z)/18:1(9Z))	ME637016	0.92	1.05	1.11
L-Acetylcarnitine	ME636987	0.88	1.10	1.14
Indole	ME636980	1.10	0.87	0.94
Kynurenic acid	ME636986	1.22	0.67	0.90
Melatonin	ME637004	1.02	0.95	1.01
2,3-Diaminopropionic acid	ME636921	1.02	0.97	0.98
Taurocholic acid	ME637035	0.85	1.48	0.82
Thymine	ME637037	1.06	0.85	1.02
Adenylsuccinic acid	ME636945	1.02	0.93	1.01
Guanosine monophosphate	ME636974	0.82	1.49	0.81
L-Norleucine	ME636993	0.98	0.98	1.07
m-Coumaric acid	ME637001	1.31	0.53	0.86
Saccharopine	ME637027	1.05	1.07	0.83
Serotonin	ME637031	1.08	0.90	0.94
Mannitol	ME637003	0.92	1.07	1.09
Methylhippuric acid	ME637005	1.08	0.89	0.95
2-Methyl-3-ketovaleric acid	ME636925	1.05	1.00	0.91
Etiocholanolone	ME636967	0.96	1.03	1.06
Mevalonic acid	ME637007	1.25	1.01	0.50
3-Indolepropionic acid	ME636933	0.94	0.88	1.24
3-Methylindole	ME636934	1.06	0.91	0.97
Hypoxanthine	ME636979	1.43	0.27	0.87
Isovalerylcarnitine	ME636985	1.19	0.69	0.93
Nutriacholic acid	ME637013	0.90	0.73	1.47
Glycine	ME636971	1.42	0.30	0.07
Glutathione	ME636969	1.52	0.52	0.44
3,4,5-Trimethoxycinnamic acid	ME636929	1.03	0.89	1.06
Sphinganine	ME637032	1.06	0.39	1.49
Niacinamide	ME637012	1.04	0.93	0.99
Metoprolol	ME637006	1.14	0.65	1.07
N-Acetyl-L-alanine	ME637008	1.04	0.93	0.99

Factors:

F1	Group:Control
F2	Group:HU
F3	Group:HUR

Data matrix