Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002837)

Reversed phase NEGATIVE ION MODE (Analysis AN004639)

Metabolite	Structure	F1	F2
1-docosahexaenoylglycerol (22:6)	ME737939	1.03	0.97
1-dihomo-linolenylglycerol (20:3)	ME737937	1.24	0.72
2-hydroxystearate	ME737986	1.04	0.96
1-arachidonoyl-GPI (20:4)*	ME737930	1.06	0.92
1-dihomo-linoleoylglycerol (20:2)	ME737938	1.05	0.94
4-methylbenzenesulfonate	ME738030	1.09	0.89
4-methylhexanoylglycine	ME738032	1.10	0.88
(14 or 15)-methylpalmitate (a17:0 or i17:0)	ME737925	0.97	1.04
1-palmitoylglycerol (16:0)	ME737957	1.12	0.86
adrenate (22:4n6)	ME738050	1.13	0.85
3-hydroxymyristate	ME738008	1.02	0.97
2-amino-p-cresol sulfate	ME737976	1.12	0.86
2-methylcitrate/homocitrate	ME737989	1.02	0.98
3,5-dichloro-2,6-dihydroxybenzoic acid	ME737998	0.96	1.05
2-arachidonoylglycerol (20:4)	ME737978	1.03	0.97
1-oleoylglycerol (18:1)	ME737951	1.15	0.83
2-oleoylglycerol (18:1)	ME737991	1.24	0.71
6-beta-hydroxylithocholate	ME738042	0.39	1.73
arachidate (20:0)	ME738057	1.05	0.94
adenosine 5^-diphosphoribose (ADP-ribose)	ME738049	1.30	0.64
1-linoleoyl-GPS (18:2)*	ME737945	1.13	0.84
catechol sulfate	ME738076	0.86	1.17
10-heptadecenoate (17:1n7)	ME737960	0.98	1.03
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (3)*	ME738067	1.03	0.96
3-methyl-2-oxobutyrate	ME738015	0.83	1.20
3-ethylphenylsulfate	ME738002	1.02	0.97
9,10-DiHOME	ME738047	0.98	1.02
1,5-anhydroglucitol (1,5-AG)	ME737928	1.00	1.00
1-linoleoyl-GPG (18:2)*	ME737943	1.02	0.98
3-(4-hydroxyphenyl)lactate	ME737999	0.92	1.10
3-hydroxydecanoate	ME738005	0.92	1.10
6-hydroxyindole sulfate	ME738043	0.95	1.07
4-ethylphenylsulfate	ME738023	0.87	1.16
4-acetylphenol sulfate	ME738019	0.97	1.03
2-hydroxyoctanoate	ME737983	1.01	0.99
3-indoxyl sulfate	ME738014	1.12	0.85
C-glycosyltryptophan	ME738072	1.10	0.87
13-HODE + 9-HODE	ME737967	1.10	0.88
3-hydroxyoctanoate	ME738009	0.96	1.04
14-HDoHE/17-HDoHE	ME737968	1.03	0.97
2,3-dihydroxy-2-methylbutyrate	ME737974	0.83	1.21
2-aminophenol sulfate	ME737977	1.08	0.91
3-hydroxypalmitate	ME738011	0.85	1.18
3-methyl-2-oxovalerate	ME738016	0.88	1.14
2-hydroxyoleate	ME737984	1.03	0.96
4-allylcatechol sulfate	ME738020	0.54	1.55
alpha-CEHC	ME738051	0.70	1.36
alpha-CEHC glycine*	ME738053	1.05	0.94
4-allylphenol sulfate	ME738021	0.81	1.22
18-methylnonadecanoate (i20:0)	ME737970	1.11	0.87
7-ketodeoxycholate	ME738046	0.36	1.77
(16 or 17)-methylstearate (a19:0 or i19:0)	ME737926	0.90	1.11
3-phenylpropionate (hydrocinnamate)	ME738017	0.72	1.34
4-ethylcatechol sulfate	ME738022	0.90	1.12
alpha-CEHC glucuronide*	ME738052	0.69	1.37
16-hydroxypalmitate	ME737969	0.89	1.13
2-hydroxypalmitate	ME737985	0.97	1.04
3-hydroxyhexanoate	ME738006	0.97	1.03
12-HEPE	ME737964	1.04	0.95
3-hydroxyoleate*	ME738010	0.91	1.11
2-naphthol sulfate	ME737990	1.16	0.81
3-indoleglyoxylic acid	ME738013	0.89	1.13
3beta-hydroxy-5-cholestenoate	ME738018	0.74	1.31
2-hydroxy-3-methylvalerate	ME737979	1.09	0.89
3-formylindole	ME738003	0.92	1.10
2-hydroxydecanoate	ME737981	1.02	0.98
12,13-DiHOME	ME737963	1.02	0.98
3-hydroxy-2-ethylpropionate	ME738004	1.13	0.85
12-HHTrE	ME737966	0.91	1.11
3-hydroxylaurate	ME738007	0.96	1.05
caprate (10:0)	ME738073	1.00	1.00
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	ME737975	1.03	0.96
1-stearoyl-GPG (18:0)	ME737958	0.97	1.04
2-palmitoleoyl-GPC (16:1)*	ME737993	1.01	0.99
2-methylbutyrylglycine	ME737988	1.18	0.78
aconitate [cis or trans]	ME738048	0.99	1.01
2-hydroxylaurate	ME737982	1.09	0.89
3-hydroxystearate	ME738012	0.89	1.14
5-oxoproline	ME738041	1.05	0.94
alpha-hydroxyisovalerate	ME738055	1.07	0.91
2-palmitoyl-GPC (16:0)*	ME737995	1.01	0.98
arachidonate (20:4n6)	ME738058	1.01	0.99
2^-O-methyluridine	ME737973	1.05	0.94
2-oxindole-3-acetate	ME737992	1.05	0.94
1-palmitoyl-GPA (16:0)	ME737953	1.08	0.91
(2 or 3)-decenoate (10:1n7 or n8)	ME737927	0.81	1.23
1-palmitoleoylglycerol (16:1)*	ME737952	0.92	1.10
2-palmitoleoylglycerol (16:1)*	ME737994	0.93	1.09
benzoate	ME738060	1.07	0.92
1-arachidonoyl-GPA (20:4)	ME737929	1.08	0.90
3,4-methylene heptanoylglycine	ME737997	1.07	0.92
chenodeoxycholate	ME738077	0.53	1.57
12-HETE	ME737965	0.98	1.03
4-methylcatechol sulfate	ME738031	1.10	0.88
2-stearoyl-GPE (18:0)*	ME737996	1.08	0.91
butenoylglycine	ME738069	1.06	0.92
butyrate (4:0)	ME738070	0.76	1.29
1-palmitoyl-GPI (16:0)	ME737955	1.07	0.91
butyrylglycine	ME738071	1.07	0.92
1-palmitoyl-GPG (16:0)*	ME737954	1.02	0.97
beta-muricholate	ME738062	0.22	1.93
alpha-muricholate	ME738056	0.44	1.67
branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*	ME738068	0.93	1.08
1-carboxyethylphenylalanine	ME737934	0.83	1.21
1-carboxyethylisoleucine	ME737932	0.96	1.05
1-carboxyethylvaline	ME737936	0.88	1.15
1-carboxyethylleucine	ME737933	0.89	1.13
1-linoleoyl-GPI (18:2)*	ME737944	0.97	1.04
1-arachidonylglycerol (20:4)	ME737931	1.02	0.98
1-carboxyethyltyrosine	ME737935	0.62	1.46
4-methyl-2-oxopentanoate	ME738029	0.89	1.13
4-hydroxyphenylacetate	ME738027	0.87	1.16
1-oleoyl-GPG (18:1)*	ME737948	1.08	0.91
4-hydroxyhippurate	ME738026	1.04	0.96
2-linoleoylglycerol (18:2)	ME737987	1.00	1.00
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*	ME738000	0.95	1.06
caproate (6:0)	ME738074	1.04	0.95
4-hydroxycinnamate sulfate	ME738025	0.97	1.04
4-vinylphenol sulfate	ME738034	1.19	0.77
5-methyluridine (ribothymidine)	ME738040	1.02	0.97
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)*	ME738066	1.10	0.88
5-hydroxyindoleacetate	ME738039	0.96	1.05
4-hydroxyphenylpyruvate	ME738028	0.60	1.48
1-myristoylglycerol (14:0)	ME737947	1.03	0.97
1-oleoyl-GPI (18:1)	ME737949	1.04	0.95
1-heptadecenoylglycerol (17:1)*	ME737940	1.21	0.75
4-vinylguaiacol sulfate	ME738033	1.63	0.24
1-linolenoylglycerol (18:3)	ME737941	1.01	0.99
caprylate (8:0)	ME738075	1.05	0.94
5-dodecenoate (12:1n7)	ME738037	0.97	1.03
5,6-dihydrouracil	ME738035	1.19	0.77
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*	ME738065	1.10	0.88
1H-indole-7-acetic acid	ME737971	1.02	0.98
1-linoleoyl-GPA (18:2)*	ME737942	1.00	1.00
1-linoleoylglycerol (18:2)	ME737946	1.12	0.86
2^-deoxyuridine	ME737972	0.90	1.12
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	ME738001	1.07	0.92
azelate (C9-DC)	ME738059	1.26	0.69
beta-hydroxyisovalerate	ME738061	0.85	1.18
alpha-hydroxyisocaproate	ME738054	0.99	1.01
1-palmitoyl-GPS (16:0)*	ME737956	1.11	0.87
1-oleoyl-GPS (18:1)	ME737950	1.18	0.79
1-stearoyl-GPI (18:0)	ME737959	1.05	0.94
10-undecenoate (11:1n1)	ME737962	0.84	1.20
(12 or 13)-methylmyristate (a15:0 or i15:0)	ME737924	0.92	1.10
5-hydroxyhexanoate	ME738038	0.95	1.06
2-hydroxyarachidate*	ME737980	0.98	1.03
biopterin	ME738063	1.06	0.93
5,6-dihydrouridine	ME738036	1.11	0.87
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	ME738045	0.65	1.42
4-hydroxycinnamate	ME738024	0.80	1.24
branched chain 14:0 dicarboxylic acid**	ME738064	0.97	1.03
10-nonadecenoate (19:1n9)	ME737961	0.95	1.06
6-oxopiperidine-2-carboxylate	ME738044	1.01	0.99

Factors:

F1	GROUP_ID:CON
F2	GROUP_ID:GOS

Data matrix