Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002787)

Reversed phase NEGATIVE ION MODE (Analysis AN004535)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
2,3-Dihydroxybenzoic acid	ME723909	0.43	0.40	1.06	1.02	1.53	1.90
1-pyrroline-4-hydroxy-2-carboxylate	ME723944	0.74	1.62	0.69	1.49	0.53	0.45
3-(2-Hydroxyphenyl)propanoic acid	ME723617	0.94	0.95	1.12	1.02	1.01	0.95
15-OxoETE	ME723975	1.15	1.24	1.97	0.79	0.35	0.37
2,2-Dimethylglutaric acid	ME723882	1.04	1.48	0.40	1.08	0.82	0.98
5,6-Dihydrouridine	ME723782	0.80	0.94	1.05	0.90	0.96	1.49
5-fluoroindole-2-carboxylic acid	ME723933	0.25	0.55	1.43	0.89	2.19	0.56
13(R)-HODE	ME723977	1.37	1.06	0.84	0.67	1.37	0.64
2-Aminoisobutyric Acid	ME723506	1.09	1.12	0.75	1.75	0.50	0.56
(±)9-HETE	ME723972	1.54	0.68	2.45	0.83	0.34	0.32
3-(pyrazol-1-yl) -L-alanine	ME723572	1.03	1.29	0.77	1.13	0.77	0.85
2-Hydroxyglutaric acid	ME723901	0.83	0.78	1.19	0.98	1.06	1.32
3-(3-Hydroxyphenyl)propanoic acid	ME723846	1.31	0.57	0.99	0.24	1.55	1.85
3-Hydroxy-4-methoxybenzoic acid	ME723619	0.55	0.67	0.98	0.64	2.19	0.98
2-Hydroxyhexanoic acid	ME723913	1.87	1.04	0.91	1.15	0.45	0.63
2,6-Di-tert-butyl-4-(hydroxymethyl)phenol	ME723623	0.89	0.88	1.17	0.92	1.11	1.09
3-(4-Hydroxyphenyl)-Propionic Acid	ME723586	0.95	0.57	1.22	0.65	1.36	1.59
6ß-hydroxytestosterone	ME723789	1.03	0.92	1.17	1.01	0.93	0.98
Adipic Acid	ME723838	0.71	0.43	1.03	1.06	1.02	2.25
9,10-EpOME	ME724001	1.45	1.66	0.75	0.55	0.60	0.85
2,6-Dihydroxybenzoic acid	ME723873	0.69	0.36	0.86	0.48	2.49	1.37
Asn-Gly	ME723565	0.61	1.07	1.13	1.00	1.09	1.01
11,12-EET	ME723973	2.98	0.77	1.60	0.52	0.25	0.21
Allocholic acid	ME723634	0.85	0.43	1.27	1.05	1.23	1.47
4-Hydroxy-3-methoxybenzaldehyde	ME723596	1.05	1.07	1.48	0.91	0.71	0.74
3-Hydroxypyruvic acid	ME723920	3.17	0.85	0.15	0.60	1.17	0.28
9,10-DiHOME	ME724003	0.72	0.60	0.47	0.38	1.67	2.79
13(S)-HOTrE(gamma)	ME723987	3.05	1.03	0.93	0.33	0.61	0.28
2,5-Dihydroxybenzaldehyde	ME723601	0.99	0.56	1.14	0.92	1.24	1.43
3-Hydroxy-3-Methyl Butyric Acid	ME723887	0.87	0.75	1.14	1.45	0.87	0.94
3-Methoxysalicylic Acid	ME723620	0.42	0.31	0.86	1.63	1.61	1.25
7-ketodeoxycholic acid	ME723790	2.24	1.56	0.21	0.45	1.12	0.23
4-hydroxyisophthalic acid	ME723618	0.36	0.47	1.15	0.96	1.68	1.61
4-Hydroxybenzoic Acid	ME723585	0.89	0.56	0.67	0.34	1.79	2.27
2-Phenylpropionic acid	ME723911	0.60	0.20	2.41	1.11	0.58	1.57
(±)4-HDHA	ME723970	1.29	0.97	1.46	0.71	0.65	1.11
Asn-Lys	ME723566	1.20	1.17	0.70	0.94	0.77	1.27
13-HOTrE	ME723962	3.05	1.03	0.93	0.33	0.61	0.28
3-pyrimidin-2-yl-propionic acid	ME723935	0.71	1.34	1.98	0.55	0.63	0.65
13-oxoODE	ME723998	0.94	1.62	0.76	0.83	0.81	0.74
2-Hydroxy-4-methylvaleric acid	ME723886	1.87	1.04	0.90	1.16	0.45	0.63
2-hydroxyhexadecanoic acid	ME723983	0.46	0.63	1.69	0.86	1.02	1.60
4,4^-Dihydroxybenzophenone	ME723621	0.87	0.87	1.19	1.06	1.05	0.98
4-Hydroxy-3-methoxyphenylacetic acid	ME723889	0.89	0.78	1.31	1.10	1.21	0.68
2-pyrimidine acetic acid	ME723934	0.45	0.55	1.31	0.61	2.35	0.67
4-Hydroxybenzyl alcohol	ME723602	1.31	0.93	0.82	0.85	1.47	0.53
9-oxoODE	ME723999	1.02	1.71	0.90	0.92	0.48	0.65
AA	ME723965	0.99	1.12	1.51	0.87	0.63	0.84
4-Hydroxycyclohexylcarboxylic acid	ME723856	0.35	0.46	1.14	0.45	1.85	2.20
(±)15-HETE	ME723961	2.25	0.91	1.95	0.52	0.27	0.31
8(S)-HETrE	ME723989	3.98	1.24	0.40	0.44	0.11	0.10
15-HEDE	ME723993	2.36	0.93	1.43	0.81	0.32	0.30
4-Hydroxy-3-methylbenzoic acid	ME723907	0.69	1.96	0.26	1.65	0.29	0.53
4-Hydroxyhippurate	ME723517	0.60	0.74	1.73	1.15	1.06	0.65
9(S),12(S),13(S)-TriHOME	ME723991	1.02	1.27	0.60	0.79	1.37	0.76
14(S)-HDHA	ME723974	1.65	1.37	1.55	0.52	0.29	0.62
(2R)-Glycerol-O-ß-D-galactopyranoside	ME723815	2.86	0.97	0.72	0.40	0.53	0.92
3-Methylaspartate	ME723581	0.91	1.20	0.84	1.12	0.95	0.82
(±)12-HETE	ME723969	2.01	0.80	1.83	0.74	0.38	0.43
3-Sulfocatechol	ME723611	0.24	0.46	2.27	0.18	2.44	0.37
3-(4-Hydroxyphenyl)-1-propanol	ME723914	0.74	1.95	0.26	1.65	0.28	0.53
4-chloro-3-sulfonylaminobenzoic acid	ME723590	1.29	1.52	0.31	1.02	0.75	0.92
3-Hydroxybutyric acid	ME723836	1.81	0.58	0.52	0.57	1.46	1.51
2-Methyl-5-nitroimidazole-1-ethanol	ME723625	2.31	0.77	1.03	0.48	0.87	0.88
3-Indolepropionic Acid	ME723937	0.51	0.53	1.24	0.90	1.29	1.88
2-Methyllactic acid	ME723884	0.89	0.81	1.16	1.62	0.87	0.48
12,13-EpOME	ME724000	1.51	1.48	0.72	0.52	0.84	0.87
3-Methacrylic acid	ME723861	0.87	0.97	1.09	1.00	1.10	0.94
12-ketolithocholic acid	ME723637	0.63	0.69	0.97	0.80	1.31	1.90
3-oxodeoxycholic acid	ME723951	0.58	0.94	0.57	0.89	1.21	2.01
Asn-Ala	ME723562	0.95	1.01	1.04	0.71	1.27	1.02
2-Hydroxybutyric acid	ME723883	0.88	0.81	1.14	1.67	0.85	0.48
2-hexyldecanoic acid	ME723995	1.00	0.59	1.34	1.05	1.02	1.23
3-Aminoisobutanoic Acid	ME723512	1.10	1.12	0.75	1.78	0.49	0.52
3,3-Dimethylglutaric acid	ME723908	0.84	0.39	0.76	0.76	2.29	1.11
9,10-dihydroxystearic acid	ME723997	0.65	0.46	0.90	0.64	1.63	2.20
2-Oxoadipic acid	ME723850	0.95	0.94	0.85	0.85	1.17	1.35
4-Acetoxyphenol	ME723608	0.98	1.08	1.26	0.94	0.77	0.95
6-Hydroxynicotinic Acid	ME723929	1.15	1.02	1.17	1.12	0.66	0.88
Acetylvaline	ME723577	1.01	1.63	0.43	1.54	0.44	0.52
3-Deoxyguanosine	ME723786	1.42	1.40	0.80	1.02	0.57	0.61
AG-183	ME723591	1.61	1.74	0.34	0.40	1.05	0.64
3,5-Dichlorosalicylic acid	ME723878	0.12	0.08	0.21	0.91	4.27	0.09
3-Amino-4-Hydroxybenzoic Acid	ME723589	0.96	0.97	1.19	0.87	0.93	1.17
2-Deoxyribose-5^-phosphate	ME723788	1.25	0.47	1.38	1.22	1.00	0.86
3,5-Dihydroxybenzoic acid	ME723921	0.43	0.40	1.06	1.02	1.53	1.90
2-Aminoethanesulfonic Acid	ME723834	1.14	1.13	1.08	0.85	1.14	0.50
3-Amino-5-hydroxybenzoic acid	ME723879	0.96	0.97	1.20	0.88	0.92	1.14
a-Ketoglutaric Acid(a-KG)	ME723831	0.72	0.43	0.98	1.07	1.05	2.26
15-oxoETE	ME724004	0.65	0.57	2.27	0.70	1.09	0.87
3-Hydroxy-3-Methylpentane-1,5-Dioic Acid	ME723496	0.25	0.70	0.38	1.53	2.21	0.61
Asn-Pro	ME723567	0.95	0.92	1.01	1.49	0.57	1.08
12-Hydroxyoctadecanoic acid	ME723986	0.93	0.96	1.15	0.86	0.95	1.27
5,6-Dimethylbenzimidazole	ME723941	1.32	1.34	0.93	0.93	0.67	0.68
3-Epideoxycholic acid	ME723649	1.01	1.02	0.78	0.81	1.09	1.42
alpha-Muricholic acid	ME723635	1.90	1.52	0.33	0.43	1.20	0.46
Apocholic acid	ME723640	0.63	0.69	0.97	0.80	1.31	1.90
2-ethyl-2-hydroxybutyric acid	ME723902	0.96	0.18	1.29	0.95	1.98	0.83
Arg-Val	ME723532	0.83	1.03	1.38	0.67	1.01	1.14
2^-Deoxyuridine	ME723783	1.27	1.27	1.03	0.97	0.61	0.76
Ala-Gln	ME723513	1.11	1.30	0.51	0.95	0.87	1.23
Adenine	ME723774	0.73	0.51	0.98	1.44	0.72	2.00
Allysine	ME723796	0.81	1.10	1.21	0.75	1.03	1.09
1-Hydroxy-2-Naphthoate	ME723864	1.84	0.71	1.65	1.01	0.67	0.20
1,6-anhydro-ß-D-glucose	ME723806	1.52	0.95	0.40	0.48	0.65	2.65
1-Methylxanthine	ME723772	0.81	0.73	0.73	0.64	1.35	2.15
16-Hydroxyhexadecanoic acid	ME723981	0.46	0.63	1.69	0.86	1.02	1.60
2,5-Dihydroxy Benzoic Acid	ME723593	0.43	0.40	1.06	1.02	1.53	1.90
15(S)-HETrE	ME723990	3.98	1.24	0.40	0.44	0.11	0.10
1-Methyladenine	ME723771	0.68	0.66	1.41	0.66	1.16	1.78
4-toluenesulfonic acid	ME723877	0.60	0.57	1.17	0.90	2.09	0.58
4-Oxopentanoate	ME723837	0.59	0.38	2.01	1.34	0.77	1.13
2-Acetylresorcinol	ME723610	0.41	0.31	0.83	1.68	1.58	1.29
4-Methylhippuric Acid	ME723573	1.58	0.15	0.78	0.46	1.78	1.93
3-(2-Naphthyl)-L-alanine	ME723580	0.92	0.97	1.13	1.01	0.91	1.08
3-Hydroxyphenylacetic acid	ME723900	1.31	1.18	0.76	0.84	0.54	1.56
Asn-Asp	ME723564	0.72	0.85	1.25	0.96	0.99	1.36
4-Methoxycinnamic Acid	ME723894	1.21	0.64	0.77	0.56	1.80	1.24
5-HETrE	ME723976	3.98	1.24	0.40	0.44	0.11	0.10
6-hydroxy-3-succinylpyridine	ME723943	0.19	0.27	2.27	0.24	1.88	1.53
Allantoin	ME723828	0.94	1.27	1.20	0.75	1.34	0.17
6,7-diketolithocholic acid	ME723953	0.98	0.90	1.09	1.45	0.67	0.88
4-Pyridoxic Acid	ME723930	0.99	0.56	0.70	2.10	0.57	1.13
2,6-Dimethoxybenzoic acid	ME723870	0.76	0.96	0.87	0.93	0.51	2.37
2-amino-4-oxovaleric acid	ME723904	1.08	1.34	0.79	0.85	0.88	0.97
23-Nordeoxycholic acid	ME723638	0.58	0.41	0.71	1.49	1.28	1.79
(±)5-HETE	ME723971	1.54	0.68	2.45	0.83	0.34	0.32
2,4-Hexadienoic acid	ME723854	0.80	0.78	1.39	0.95	0.94	1.30
Asn-Glu	ME723557	0.75	0.82	0.97	0.96	1.09	1.59
5-Methyl-2^-deoxycytidine	ME723781	1.98	0.86	0.52	1.55	0.35	0.87
5-Hydroxyhexanoic Acid	ME723849	0.99	0.18	1.12	0.89	2.25	0.72
Allantoic acid	ME723575	0.88	1.44	0.68	0.52	0.91	1.62
2^,4^-Dihydroxyacetophenone	ME723606	0.20	0.22	1.14	0.90	3.06	0.30
2-(4-hydroxyphenyl) propionate	ME723612	1.22	0.57	1.13	0.23	1.53	1.81
2-(4-Hydroxyphenyl)ethanol	ME723600	0.94	0.72	1.56	0.67	1.33	0.90
2-Hydroxyphenylacetic acid	ME723906	0.69	1.96	0.26	1.65	0.29	0.53
3-Hydroxypropionic acid	ME723857	1.17	0.67	0.98	0.32	1.47	1.83
a-Hydroxyglutaric Acid (sodium salt)	ME723881	0.88	1.10	0.90	1.03	1.04	0.96
Ala-Ala	ME723499	1.03	1.50	0.38	1.10	0.80	0.98
Acetanilide	ME723614	1.06	1.09	1.10	1.01	0.81	0.91
2-(Formylamino)Benzoic Acid	ME723597	0.96	0.92	1.06	0.98	0.78	1.48
2-Aminobenzenesulfonic acid	ME723588	1.30	0.07	0.50	0.89	1.86	1.97
2-Hydroxy-3-Methylbutanoic Acid	ME723862	1.71	1.24	0.70	1.16	0.52	0.58
12,13-DiHOME	ME723980	0.65	0.49	0.74	0.48	1.92	2.17
12-OxoETE	ME723988	1.15	1.24	1.97	0.79	0.35	0.37
5-Nitrobenzimidazole	ME723942	0.95	1.06	1.03	1.08	0.90	0.92
2-Methylbenzoic acid	ME723599	0.39	0.72	0.82	1.18	2.05	0.63
Ala-Glu	ME723524	0.44	0.58	0.82	1.46	1.00	1.98
5-iso PGF2VI	ME724009	0.29	1.05	0.41	0.27	2.64	1.22
8,15-Dihete	ME723966	1.12	1.07	1.12	1.03	0.72	0.94
4-Hydroxyphenylacetic acid	ME723594	1.33	1.20	0.74	0.84	0.53	1.54
Ala-Ile	ME723536	0.65	0.70	0.56	2.60	0.47	0.82
11-HEDE	ME723992	2.36	0.93	1.43	0.81	0.32	0.30
7-ketolithocholic acid	ME723636	0.63	0.69	0.97	0.80	1.31	1.90

Factors:

F1	Group type:Colorectal adenoma \| Sex:Female
F2	Group type:Colorectal adenoma \| Sex:Male
F3	Group type:Colorectal cancer \| Sex:Female
F4	Group type:Colorectal cancer \| Sex:Male
F5	Group type:Heathy control \| Sex:Female
F6	Group type:Heathy control \| Sex:Male

Data matrix