Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003053)

HILIC NEGATIVE ION MODE (Analysis AN005007)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7
2-Dodecylbenzenesulfonic acid	ME796654	4.46	1.22	0.54	0.27	0.23	0.20	0.78
13^-hydroxy-alpha-tocotrienol	ME796642	2.86	0.56	0.18	NA	NA	NA	0.19
2-Benzothiazolesulfonamide	ME796775	2.20	NA	NA	0.88	0.48	NA	0.65
2-C-Methyl-D-erythritol 4-phosphate	ME796732	0.72	0.30	0.44	0.28	NA	0.40	2.66
2-oxo-5-chloro-4-pentenoate	ME796884	0.38	1.04	0.89	0.24	0.32	1.10	3.50
3-Ethylmalate	ME796803	0.48	1.09	1.25	0.28	0.93	1.05	3.19
16-bromo-7E,15E-hexadecadien-5,13-diynoic acid	ME797181	0.50	1.36	0.75	1.55	0.89	0.59	1.49
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate	ME797169	0.64	1.63	0.89	1.67	0.51	0.24	1.32
2-Oxoadipate	ME797160	0.81	1.70	0.53	1.97	0.74	0.49	1.39
1-acyl-sn-glycero-3-phosphoglycerol (n-C18:0)	ME797115	1.03	0.63	0.56	1.67	1.14	0.77	1.25
13-[O(2^)-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6^^)-acetate	ME797313	NA	0.60	0.72	1.71	1.28	0.73	0.94
2-Oxobutanoate_2	ME797201	0.50	0.86	1.08	1.78	1.23	0.85	1.42
2-Deoxy-D-ribose 1-phosphate	ME797266	0.16	0.99	0.82	2.08	0.96	0.77	1.28
2-Oxobutanoate_3	ME797189	0.68	0.98	0.71	2.20	1.05	0.69	1.17
3-Hydroxy-cis-5-tetradecenoylcarnitine	ME796736	2.16	0.44	0.65	0.87	0.61	0.76	0.89
1-Epideacetylbowdensine_1	ME796713	2.47	0.79	0.68	0.78	0.52	0.78	0.97
2S-Hydroxytetradecanoic acid_1	ME796695	2.86	0.86	0.89	0.80	0.62	0.73	0.93
2-trans,6-trans-Farnesal	ME796701	2.66	0.91	0.74	0.77	0.69	0.68	1.11
1-Isothiocyanatopentane	ME796949	0.99	0.68	0.51	0.73	1.69	1.25	1.20
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	ME796969	1.01	0.91	1.03	0.80	1.12	0.89	1.33
(2S,4S)-Monatin	ME796891	1.10	0.79	1.04	0.71	1.19	0.99	1.22
(2R,3S,6S)-2,6-diamino-3-hydroxy-diaminopimelate	ME797071	0.67	0.98	1.45	0.84	0.72	1.09	1.32
3-Hydroxyhexobarbital	ME797031	0.85	1.02	1.01	0.87	0.88	1.14	1.31
1-O-Methyl-myo-inositol	ME797061	0.90	1.02	1.25	1.06	1.07	1.07	1.30
2-Oxobutanoate	ME797067	0.70	1.03	1.42	0.87	1.06	1.15	1.39
2,3-Dimethylmaleate	ME796958	1.27	0.83	0.81	0.95	0.84	0.89	1.95
2-Octenedioicacid_1	ME796748	1.99	0.92	0.82	0.90	0.80	0.73	1.16
1-Epideacetylbowdensine	ME796766	1.92	0.76	0.87	0.98	0.61	0.73	1.18
3^-Deaminofusarochromanone	ME796754	1.97	0.82	0.74	0.95	0.65	0.59	1.11
2-Isopropylmaleate	ME796974	1.43	0.87	1.22	1.17	0.93	0.86	1.25
2-Octenedioicacid	ME796991	1.42	0.88	1.12	1.22	0.96	0.96	1.18
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate	ME796948	1.67	0.91	0.88	1.23	0.97	0.70	1.09
(2S,4S)-Monatin_1	ME796769	1.57	0.94	0.74	0.82	0.75	1.00	1.24
2-(4-Methyl-5-thiazolyl)ethyl propionate	ME796819	1.65	0.84	0.66	0.96	0.83	0.75	1.31
3-Hydroxy-palmitic acid methyl ester	ME796813	1.66	0.88	0.84	0.97	0.80	0.79	1.14
2-Methyl-4-propyl-1,3-oxathiane	ME796822	1.56	0.85	0.78	0.92	0.89	0.82	1.18
2-Isopropylmaleate_1	ME796830	1.56	0.89	0.81	0.92	0.85	0.84	1.13
1,8-Diazacyclotetradecane-2,9-dione	ME796850	1.55	0.85	0.81	0.94	0.84	0.83	1.16
2-(4-Methyl-5-thiazolyl)ethyl butanoate_2	ME796847	1.57	0.82	0.83	0.95	0.85	0.81	1.13
2-oxopropane sulfonate	ME796811	1.57	0.88	0.84	0.91	0.90	0.83	1.08
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid	ME796777	1.61	0.89	0.81	0.87	0.84	0.86	1.10
2-Isopropylmaleate_2	ME796849	1.58	0.90	0.94	0.96	0.87	0.91	1.23
2-(4-Methyl-5-thiazolyl)ethyl butanoate	ME796905	1.58	0.93	0.91	1.05	0.86	0.86	1.25
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	ME796946	1.53	0.94	0.93	1.12	0.86	0.87	1.28
3-Hydroxyanthranilate	ME796898	1.54	0.80	0.80	1.01	0.83	0.77	1.29
2-Octenedioicacid_2	ME796899	1.45	0.86	0.91	0.95	0.82	0.80	1.27
2S-Hydroxytetradecanoic acid	ME796934	1.45	0.88	0.85	1.02	0.82	0.79	1.24
11-O-Demethylpradinone I	ME797342	NA	0.82	1.04	0.59	1.04	1.15	NA
2-amino-4-oxo-6-(erythro-1^,2^,3^-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate	ME796918	1.14	1.12	1.11	0.78	0.94	0.91	NA
3^,5-Dihydroxy-3,4^,7-trimethoxyflavone	ME797339	NA	NA	1.58	0.49	0.70	0.79	1.08
2^^,6^^-Di-O-acetylononin	ME797282	NA	0.41	0.87	0.46	1.30	1.25	1.94
2-hydroxy-4-methylthiobutanoate	ME797290	NA	0.68	1.52	0.52	1.10	1.33	0.86
3,3^-Thiobispropanoic acid	ME797000	0.40	0.51	1.28	0.37	1.64	1.45	1.46
3^,5^-Cyclic AMP	ME797250	0.20	0.69	1.08	0.78	1.30	1.37	1.25
3-Hydroxy-carbofuran_2	ME797264	0.24	0.78	1.12	0.67	1.48	0.98	1.21
2-Oxoglutarate	ME797156	0.34	1.09	1.71	0.78	1.15	1.29	1.50
2,6-Dioxo-6-phenylhexanoate	ME797131	0.39	0.51	1.49	0.70	1.11	1.37	1.58
3-(4-Hydroxyphenyl)pyruvate	ME797092	0.39	0.80	1.50	0.56	1.20	1.27	1.36
2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one	ME797205	0.29	0.62	1.42	0.53	1.15	1.17	1.61
3-Hydroxy-carbofuran	ME797220	0.26	0.65	1.47	0.56	1.27	0.98	1.60
3,4-Dicaffeoyl-1,5-quinolactone	ME797289	NA	0.21	0.69	0.50	0.55	2.71	1.45
2,7-Anhydro-alpha-N-acetylneuraminic acid	ME796746	0.63	0.41	0.88	0.56	0.68	1.70	1.13
3,3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl ester	ME797212	0.07	0.17	1.26	0.13	0.82	2.09	1.20
3,3^-Thiobispropanoic acid_2	ME797302	NA	0.18	0.80	0.24	1.28	1.89	1.00
20-Trihydroxy-leukotriene-B4	ME797360	NA	NA	0.65	NA	0.86	1.48	1.00
3-Deoxy-D-manno-octulosonate_2	ME797351	NA	NA	0.76	NA	0.66	1.73	0.79

Factors:

F1	treatment:C12-o-(BG-D)-10_1h
F2	treatment:C12-o-(BG-D)-10_3h
F3	treatment:C12-o-(BG-D)-10_6h
F4	treatment:Control_1h
F5	treatment:Control_3h
F6	treatment:Control_6h
F7	treatment:Pooled QC

Data matrix