Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001048)

(Analysis AN001717)

Metabolite	Structure	F1	F2	F3	F4
Cis-Resveratrol	ME253879	1.02	NA	NA	0.29
Indole-3-Carboxylic Acid	ME253899	0.90	2.45	0.27	0.60
Ferulate	ME253889	0.83	1.98	2.01	0.83
MEP (Mono-ethyl phthalate)	ME253910	0.89	2.20	0.98	0.87
3-Methyglutarate	ME253860	0.93	2.21	1.13	0.66
Adipate	ME253869	0.94	2.10	1.09	0.64
4-Quinolinecarboxylate	ME253866	0.84	2.17	1.50	0.99
Biotin	ME253873	0.89	1.79	1.32	1.12
Ethylmalonate	ME253888	0.97	1.17	1.70	0.81
2-Methylmaleate	ME253853	1.11	0.60	1.39	0.44
Itaconate	ME253903	1.09	0.64	1.41	0.47
3-Hydroxybenzoate	ME253857	0.85	1.04	1.71	NA
MCPP (Mono (3-carboxpropyl) phthalate)	ME253907	0.91	1.70	1.34	NA
Oxoglutarate	ME253918	1.00	0.35	0.89	1.48
Sebacic Acid	ME253928	0.96	0.77	0.89	1.45
Caffeate	ME253876	0.95	1.48	0.94	0.69
Deoxycholate	ME253883	1.00	1.25	0.69	0.63
P-Hydroxyphenylacetate	ME253919	0.99	1.20	0.91	0.99
Hydroxyphenyllactate	ME253897	0.96	1.32	0.90	1.07
Phenylacetate	ME253921	0.96	1.34	0.90	1.08
6-Carboxyhexanoate	ME253867	1.01	1.20	0.93	0.83
2-Methylglutarate	ME253852	1.01	1.03	0.98	0.91
Elaidate / Oleate /Petroselinate	ME253886	1.02	1.05	1.03	0.83
Estriol	ME253887	0.99	0.96	0.95	1.13
Sorbate	ME253929	1.00	0.89	0.90	1.10
2-Hydroxyphenylacetate	ME253851	1.00	1.05	0.92	1.00
Guaiacol	ME253892	0.99	1.08	0.81	1.09
Cortisone	ME253881	0.95	1.26	1.37	0.98
Oxoadipate	ME253917	0.98	1.04	1.03	1.07
N-Formyl-L-Methionine	ME253914	0.98	0.98	1.10	1.08
Cholate	ME253878	0.99	1.03	1.12	1.03
Salsolinol	ME253927	0.98	1.06	1.14	1.03
Dihydroxyacetone Phosphate	ME253884	0.97	1.08	1.34	1.02
Normetanephrine	ME253915	0.97	1.06	1.30	1.03
2-Hydroxy-4-(Methylthio)Butanoate	ME253849	0.96	1.06	1.22	1.09
3-Methoxytyramine	ME253859	0.98	1.07	1.23	1.03
Butyl Paraben	ME253875	0.97	1.18	1.15	1.03
Benzylamine	ME253872	0.95	1.25	1.17	1.10
Hippurate	ME253893	0.95	1.24	1.17	1.12
Rosmarinate	ME253924	0.97	1.17	0.98	1.13
Suberate	ME253931	0.95	1.14	1.05	1.23
MECPP (Mono-2-ethyl-5-carboxypentyl phthalate)	ME253908	1.02	0.70	1.15	1.03
2,3-Dihydroxybenzoate	ME253854	1.26	0.69	0.81	0.84
2-Hydroxybutyrate	ME253850	1.06	0.78	1.02	0.75
Palmitate	ME253920	1.05	0.85	0.88	0.78
Stearic Acid	ME253930	1.05	0.91	0.83	0.78
Lumichrome	ME253904	1.02	0.76	NA	1.04
Riboflavin	ME253923	1.10	0.35	0.22	1.06
Azelate	ME253871	0.97	0.87	0.41	1.52
Caprylate	ME253877	0.99	0.87	0.56	1.33
Dodecanedioic Acid	ME253885	0.96	1.00	0.60	1.41
10-Hydroxydecanoate	ME253848	1.05	0.82	0.64	0.98
Pregnenolone Sulfate	ME253922	1.04	0.74	0.53	1.10
3-Methoxy-4-Hydroxymandelate	ME253858	1.02	0.77	0.63	1.16
3-Methyl-2-Oxindole	ME253861	1.02	0.78	0.57	1.17
Homovanillate	ME253895	1.03	0.77	0.44	1.18
4-Aminobenzoate	ME253863	1.03	0.81	0.34	1.18
Anthranilate	ME253870	1.03	0.81	0.34	1.18
4-Hydroxybenzoate	ME253865	1.07	0.59	0.43	1.03
Glycocholate	ME253891	1.05	0.68	0.44	1.11
Mandelate	ME253906	1.02	0.98	0.34	1.12
2OH-MBP (Mono(2-hydroxy-isobutyl)phthalate) / 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate)	ME253855	1.03	0.93	0.50	1.05
Acetyl-L-Leucine	ME253868	1.01	0.97	0.55	1.13
3-(2-Hydroxyphenyl)Propanoate	ME253856	1.02	1.03	0.70	0.95
Indoxyl Sulfate	ME253902	0.98	1.08	0.62	1.23
Cortisol	ME253880	1.01	1.07	0.57	1.07
Indole-3-Acetate	ME253898	0.98	1.24	0.60	1.12
Indole-3-Ethanol	ME253900	0.99	1.17	0.59	1.08
N-Acetylphenylalanine	ME253913	0.99	1.16	0.62	1.07
MMP (Mono-methyl phthalate)	ME253912	1.31	0.44	0.24	0.62
4-Coumarate	ME253864	1.23	0.66	0.48	0.81
Homogentisate	ME253894	1.08	0.67	0.41	0.89
Indoleacetaldehyde	ME253901	1.14	0.83	0.60	0.78
m-Coumaric acid	ME253905	1.09	0.85	0.39	0.74
MEHHP (Mono-2-ethyl-5-hydroxyhexyl phthalate)	ME253909	1.21	0.45	0.65	0.74
3-Methyl-2-Oxovalerate	ME253862	1.04	0.33	0.72	0.97
Glycochenodeoxycholate	ME253890	1.08	0.49	0.58	0.94
Trans-Resveratrol	ME253932	1.04	1.38	NA	0.71
Methyl Paraben	ME253911	1.15	1.15	0.78	NA
OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate / Mono-(4-methyl-7-hydroxyloctyl) phthalate)	ME253916	0.76	1.43	0.29	NA
cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate / Monocarboxyisodecyl phthalate )	ME253882	0.19	6.24	3.98	0.16
Bisphenol S	ME253874	0.39	4.69	2.56	0.22
Hydroquinone	ME253896	0.62	3.58	3.75	0.66
Salicylate	ME253926	0.62	3.46	3.67	0.64

Factors:

F1	Analysis type:CHEAR 2016-1407 Study Sample
F2	Analysis type:CHEAR Pooled Urine
F3	Analysis type:NIST Smoker''s Urine
F4	Analysis type:Study Pooled QC

Data matrix