Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001385)

(Analysis AN002312)

Metabolite	Structure	F1	F2	F3	F4	F5
cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate)	ME319116	NA	8.80	0.04	0.05	7.10
LysoPC(16:0)	ME319126	1.82	2.56	1.00	0.81	1.34
Bisphenol S	ME319095	1.42	NA	0.91	0.99	NA
Homogentisate	ME319053	NA	0.36	0.26	1.20	0.49
Rosmarinate	ME319096	NA	0.25	0.73	1.12	NA
Cortisol	ME319104	NA	0.30	0.64	1.05	0.44
Glycocholate	ME319112	NA	NA	0.51	1.11	0.22
Indole-3-Carboxylic acid	ME319091	NA	NA	1.12	0.85	2.22
Methyl Paraben	ME319094	NA	NA	1.08	0.94	1.46
4-Quinolinecarboxylate	ME319052	NA	1.92	0.75	0.80	2.71
Adipate / 3-Methylglutarate	ME319059	0.10	1.09	1.04	0.94	2.22
3-Hydroxybenzoate	ME319083	NA	1.39	NA	0.27	1.08
Oxoglutarate	ME319049	NA	2.08	0.55	1.04	0.74
Estriol	ME319102	NA	1.42	0.99	1.00	0.84
Ethylmalonate	ME319058	NA	1.80	0.94	0.99	0.82
MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate)	ME319108	NA	1.62	0.84	1.03	0.68
2,3-Dihydroxybenzoate	ME319081	NA	1.77	1.01	0.88	1.72
Ethyl sulfate	ME319045	0.02	1.42	0.86	0.97	1.70
Guaiacol	ME319072	NA	1.36	0.93	0.92	1.71
3-Hydroxyphenylacetate	ME319080	NA	1.80	1.29	0.88	1.34
2-Hydroxybutyrate	ME319054	0.07	1.37	1.08	1.04	1.23
3-(2-Hydroxyphenyl)Propanoate	ME319089	NA	1.53	0.97	0.93	1.41
Xanthurenate	ME319067	NA	1.57	1.02	0.93	1.35
3-hydroxyanthranilic acid	ME319061	NA	1.64	0.93	0.97	1.12
Suberate	ME319088	0.10	1.88	1.02	1.02	1.22
2-Methylmaleate / Itaconate	ME319050	0.05	2.60	0.98	0.96	1.52
Phenylglyoxylic acid / 2-Hydroxy-4-(Methylthio)Butanoate	ME319060	NA	2.43	1.07	0.84	1.79
3-Methyl-2-Oxovalerate	ME319076	NA	1.98	0.49	0.94	1.80
Oxoadipate	ME319046	NA	1.85	0.64	0.97	1.39
Azelate	ME319100	0.12	2.25	0.93	0.98	1.52
trans,trans -Muconic acid	ME319056	NA	2.06	0.84	0.92	1.51
cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate)	ME319109	NA	1.07	1.46	0.91	1.18
2-Methylglutarate	ME319062	0.13	0.97	1.16	1.03	1.33
2-Hydroxyphenylacetate / P-Hydroxyphenylacetate	ME319071	NA	1.10	0.86	0.98	1.29
m-Coumaric acid	ME319090	NA	1.11	0.87	0.99	1.19
Hydroxyphenyllactate/ Phenylacetate	ME319063	NA	1.15	1.02	0.97	1.20
Mandelate	ME319073	NA	1.10	0.97	0.97	1.29
3,4-Dihydrox benzoic acid	ME319057	NA	0.50	1.04	1.05	0.66
4-methylcatechol	ME319055	NA	0.72	0.92	1.05	0.79
Anthranilate / 4-Aminobenzoate	ME319086	NA	0.63	1.05	1.03	0.80
Indole-3-Acetate	ME319092	NA	0.74	1.01	1.02	0.94
Riboflavin	ME319082	NA	0.61	1.11	1.01	0.95
4-Hydroxybenzoate	ME319075	0.24	1.08	1.07	1.00	0.92
2OH-MBP (Mono(2-hydroxy-isobutyl)phthalate) / 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate)	ME319093	NA	0.90	1.06	1.00	0.94
Indoxyl Sulfate	ME319064	0.00	0.94	1.03	1.04	0.93
N-Acety-L-Leucine	ME319084	NA	0.93	1.01	1.01	0.89
3-Methyl-2-Oxindole	ME319065	NA	0.84	0.99	1.03	0.80
5-Hydroxyindoleacetate	ME319066	NA	0.94	1.02	1.02	0.80
Phenylacetylglutamine	ME319074	0.00	0.77	1.16	1.08	0.84
Homovanillate	ME319078	NA	0.88	1.11	1.01	0.84
Pregnenolone Sulfate	ME319111	NA	0.91	1.18	1.00	0.80
Sorbate	ME319070	NA	1.18	0.93	1.00	1.02
Hippurate	ME319069	0.00	1.19	1.15	1.07	0.93
3-Methoxy-4-Hydroxymandelate	ME319051	NA	1.03	1.08	1.00	0.87
6-Carboxyhexanoate	ME319079	0.03	1.07	1.05	1.00	0.90
Kynurenate	ME319068	NA	1.01	1.03	0.99	1.05
N-Acetylphenylalanine / Indole-3-Ethanol	ME319085	NA	1.03	1.12	0.98	1.00
MEP (Mono-ethyl phthalate)	ME319098	0.73	1.56	1.80	0.86	1.25
Stearic acid	ME319139	0.59	1.37	1.54	0.87	1.69
Sebacic acid	ME319105	0.72	1.68	0.95	1.00	1.02
Glycolithocholic acid	ME319124	1.20	1.45	1.03	0.93	1.32
LysoPC(18:0)	ME319128	1.16	1.53	0.99	0.95	1.08
MEHP (Mono-2-ethylhexyl phthalate)	ME319125	1.26	1.54	0.94	0.95	1.08
Cholesterol Sulfate	ME319136	0.73	0.66	1.00	1.05	0.88
Cholate	ME319120	1.15	1.16	1.00	0.97	1.03
Oleamide	ME319130	1.17	1.18	1.02	0.96	1.08
Salsolinol	ME319122	1.16	1.05	1.02	0.98	1.03
Arachidonic Acid	ME319134	1.07	1.08	0.98	0.99	1.04
Butyl Paraben	ME319117	1.07	1.06	0.97	0.99	1.03
Laurate	ME319127	1.05	1.13	0.98	0.99	1.00
Perfluorooctanoic acid	ME319119	1.08	1.09	1.00	0.99	0.99
Eicosapentaenoate	ME319131	1.01	1.24	1.04	0.97	1.12
Linoleate	ME319133	1.03	1.06	1.11	0.97	1.11
Oleate / Elaidate / Petroselinate	ME319137	0.96	1.16	1.17	0.95	1.19
Omega-Hydroxydodecanoate	ME319114	1.09	1.00	0.83	1.04	0.76
Dodecanedioic acid	ME319113	0.94	0.97	1.06	1.01	0.91
MBP (Mono-n-butyl phthalate) / MiBP (Mono-isobutyl phthalate)	ME319110	0.95	0.87	0.95	1.02	0.96
3-Methoxytyramine	ME319123	0.96	0.84	0.86	1.05	0.83
Myristate	ME319129	0.84	0.97	0.88	1.05	0.85
Taurodeoxycholic acid	ME319118	0.61	1.18	0.95	1.04	0.96
2-Undecanone	ME319115	0.84	1.12	0.99	1.00	1.07
Ursodeoxycholic acid	ME319121	0.79	1.11	0.91	1.03	1.00
10-Hydroxydecanoate	ME319106	0.55	1.23	1.14	0.97	1.05
Caprylate	ME319101	0.52	1.32	0.86	1.04	1.14
Phthalic acid	ME319077	0.59	1.31	0.98	0.98	1.11
Arachidate	ME319140	0.72	1.28	1.30	0.93	1.41
Palmitate	ME319135	0.69	1.16	1.24	0.95	1.32
Heptadecanoate / Hexadecanol	ME319138	0.84	1.17	1.31	0.94	1.22
Palmitoleic acid	ME319132	0.97	1.22	1.28	0.95	1.05
Dehydroepiandrosterone Sulfate	ME319107	NA	2.98	0.49	0.54	4.54
Ethyl glucuronide	ME319047	NA	2.58	0.60	0.69	3.72
Salicylate	ME319097	0.73	5.38	0.94	0.63	2.78
Ferulate	ME319087	NA	3.44	NA	0.79	1.83
Maleate	ME319048	0.08	4.17	0.90	0.85	1.26

Factors:

F1	Factor:matrix
F2	Factor:NIST
F3	Factor:PooledQC
F4	Factor:sample
F5	Factor:UT Pool

Data matrix