Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000292)

ESI Positive mode (Analysis AN000466)

Metabolite	Structure	F1	F2	F3
2^-DEOXYGUANOSINE	ME106748	0.72	1.04	1.24
2-Oxooctadecanoic acid_1	ME106768	1.18	0.84	0.99
(10S)-Juvenile hormone III diol	ME106665	1.04	1.08	0.88
3,4-Dihydroxymandelate_2	ME106784	0.83	1.45	0.66
1,2-Bis(chloromethoxy)ethane	ME106698	1.17	0.67	1.16
3-(2-Hydroxyphenyl)propanoate_2	ME106773	1.40	0.16	1.43
3-Butylidene-7-hydroxyphthalide	ME106793	1.06	0.99	0.95
21,22-Diprenylpaxilline_1	ME106737	1.42	0.76	0.82
2-Ethylhexyl phthalate_2	ME106750	1.03	0.98	0.99
2-Oxobutanoate_2	ME106767	1.05	0.93	1.02
2-Hydroxymethylclavam_2	ME106762	1.11	0.83	1.06
11H-Benz[bc]aceanthrylene	ME106706	0.97	1.02	1.01
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	ME106720	1.07	0.92	1.01
21,22-Diprenylpaxilline_2	ME106738	1.08	0.71	1.21
2-Oxooctadecanoic acid_2	ME106769	1.11	0.86	1.03
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate	ME106727	1.04	0.97	0.99
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid	ME106728	0.68	1.28	1.03
2-Ethylhexyl phthalate_3	ME106751	0.97	0.88	1.15
1-Aminocyclopropane-1-carboxylate_2	ME106714	0.91	1.00	1.09
2-Naphthylamine_2	ME106765	1.01	0.98	1.01
3-(Dimethylamino)propyl benzoate_1	ME106774	1.03	1.02	0.95
1-Dehydro-9-fluoro-11-oxotestololactone	ME106715	2.08	0.22	0.65
2-Hydroxy-2,4-pentadienoate_1	ME106755	0.82	1.11	1.07
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	ME106716	0.97	1.06	0.97
1-Octanal_2	ME106719	1.00	1.02	0.99
2,6-Diamino-7-hydroxy-azelaic acid	ME106736	0.91	0.42	1.67
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2	ME106796	1.49	0.75	0.76
1,4^-Bipiperidine-1^-carboxylic acid_1	ME106701	1.28	0.92	0.80
2-Ethylhexyl phthalate_1	ME106749	1.01	1.01	0.98
2-Furoate_2	ME106753	0.78	0.70	1.52
3-Fluoro-cis,cis-muconate	ME106797	0.98	1.06	0.96
2^-Dehydrokanamycin A	ME106747	1.47	1.12	0.57
2-Hydroxypyridine	ME106763	0.66	1.29	1.05
3,4-Methylenedioxymethamphetamine	ME106786	1.01	0.99	1.00
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	ME106713	1.01	0.99	1.00
2-Amino-9,10-epoxy-8-oxodecanoic acid_1	ME106741	1.43	0.84	0.73
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide	ME106705	0.92	1.15	0.93
1,3-Dichloro-2-propanol	ME106700	0.95	1.16	0.89
1,2,6-Hexanetriol	ME106697	0.96	1.07	0.97
1,4^-Bipiperidine-1^-carboxylic acid_2	ME106702	1.12	1.11	0.77
14-Dihydroxycornestin	ME106708	0.96	0.70	1.34
1,2,3-Trihydroxybenzene	ME106696	0.87	1.16	0.97
3,3^-Dimethylbisphenol A	ME106780	1.11	0.87	1.02
1,4^-Bipiperidine-1^-carboxylic acid_3	ME106703	1.08	0.68	1.24
2-Aminophenol_2	ME106746	0.99	0.73	1.28
2-Hydroxycyclohexan-1-one_2	ME106759	0.99	0.94	1.06
3-Buten-1-amine	ME106792	0.96	1.01	1.02
2-Amino-9,10-epoxy-8-oxodecanoic acid_2	ME106742	1.46	0.67	0.87
2-Phenylacetamide_1	ME106770	0.98	1.01	1.01
1-Oleoylglycerophosphocholine	ME106721	1.24	0.65	1.11
2-Hydroxycyclohexan-1-one_1	ME106758	1.00	1.00	1.00
1-Methyladenosine	ME106717	1.01	0.94	1.05
10,16-Dihydroxyhexadecanoic acid	ME106704	1.12	0.92	0.95
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2	ME106788	0.93	0.90	1.17
2,5-Dichloro-4-oxohex-2-enedioate	ME106733	1.02	0.98	1.00
2,5-Furandicarboxylate	ME106735	0.71	0.87	1.40
1^-Acetoxyeugenol acetate	ME106711	1.12	0.81	1.07
2-Aceto-2-hydroxybutanoate	ME106739	0.81	1.23	0.96
(10S)-Juvenile hormone III acid diol	ME106664	0.95	1.02	1.03
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose	ME106732	0.96	1.03	1.02
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	ME106794	1.01	0.99	1.01
17beta-Methylestra-1,3,5(10)-trien-3-ol	ME106709	0.98	0.99	1.03
3,4-Dihydroxy-L-phenylalanine_2	ME106782	1.37	0.57	1.06
2-Phenylacetamide_2	ME106771	1.31	0.58	1.11
2,3-Dihydroxybenzoate	ME106729	0.89	1.13	0.97
2-Aminomuconate	ME106743	1.05	1.04	0.91
3-(Dimethylamino)propyl benzoate_2	ME106775	0.98	0.61	1.40
2-(Methylthio)ethanesulfonate	ME106726	1.10	0.78	1.12
2-Hydroxy-1,4-benzoquinone	ME106754	1.07	0.93	1.00
2-Hydroxymethylclavam_1	ME106761	0.95	1.05	0.99
3-(2-Hydroxyphenyl)propanoate_1	ME106772	1.06	0.98	0.96
2,3-Dimethylmaleate_2	ME106731	0.93	0.91	1.16
2-Hydroxycyclohexan-1-one_3	ME106760	0.95	1.09	0.97
3-AMINO-4-HYDROXYBENZOIC ACID	ME106789	1.23	0.88	0.89
3-Hydroxyhexobarbital	ME106798	0.93	1.04	1.00
2-Furoate_1	ME106752	0.90	1.07	1.03
2-Hydroxy-2,4-pentadienoate_2	ME106756	0.76	1.21	1.03
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1	ME106777	1.10	0.98	0.92
2-Naphthylamine_1	ME106764	0.93	1.08	0.99
1^-Acetoxychavicol acetate	ME106710	1.15	0.95	0.90
2-Aminophenol_1	ME106745	0.83	1.04	1.13
2-Oxobutanoate_1	ME106766	0.89	1.12	0.99
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1	ME106787	1.02	1.00	0.98
2,3-Dimethylmaleate_1	ME106730	0.90	1.13	0.98
2-Aminomuconate semialdehyde	ME106744	1.01	1.03	0.96
1-Pyrroline-2-carboxylate_2	ME106723	0.97	1.00	1.03
3,4-Dihydroxymandelate_1	ME106783	0.33	2.32	0.30
1-Aminocyclopropane-1-carboxylate_1	ME106712	1.09	0.87	1.04
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine	ME106757	0.99	0.86	1.15
3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine	ME106791	2.51	0.00	0.45
1-Octanal_1	ME106718	0.99	1.01	0.99
3-(Dimethylamino)propyl benzoate_3	ME106776	1.08	1.14	0.79
2,5-Dioxopentanoate	ME106734	0.90	0.89	1.21
(3-Arylcarbonyl)-alanine	ME106666	1.15	0.90	0.95
1,3,8-Naphthalenertriol	ME106699	1.04	0.97	0.99
3,4-Dihydroxy-L-phenylalanine_1	ME106781	1.09	0.74	1.16
2-(Biaryl)carbapenems	ME106725	0.97	1.00	1.04
1-Pyrroline-2-carboxylate_1	ME106722	0.98	0.98	1.04
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1	ME106795	0.64	1.19	1.17
1-(1-Oxopropyl)-1H-imidazole_2	ME106695	0.89	1.08	1.04
3,4-Dihydroxyphthalate	ME106785	0.49	1.10	1.41
3-Aminopropanesulfonate	ME106790	0.60	0.61	1.78
1-(1-Oxopropyl)-1H-imidazole_1	ME106694	1.18	0.82	0.99
11-Methoxy-vinorine	ME106707	2.20	0.25	0.55
1-Pyrroline-2-carboxylate_3	ME106724	1.04	1.00	0.96

Factors:

F1	Treatment :Baseline plasma
F2	Treatment :Plasma after drinking apple juice
F3	Treatment :Plasma after drinking cranberry juice

Data matrix