Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000294)

(Analysis AN000470)

Metabolite	Structure	F1	F2	F3	F4	F5
CREATININE	ME107796	0.33	0.30	0.35	3.69	0.33
Auricularine	ME107771	0.46	0.40	3.00	0.44	0.70
N,N^-Diacetylhydrazine	ME107874	1.50	0.66	1.83	0.25	0.76
CITRATE	ME107792	0.72	0.88	1.63	1.61	0.16
1,2,6-Hexanetriol_2	ME107705	0.50	1.16	1.72	0.82	0.79
(R)-Mevalonate	ME107701	0.69	1.20	1.53	0.97	0.61
L-GLUTAMINE	ME107848	0.67	1.16	1.52	1.01	0.65
TRANS-4-HYDROXYPROLINE	ME107925	0.65	1.17	1.54	1.00	0.65
Harmaline	ME107828	0.92	0.75	1.06	0.70	1.57
Adenine	ME107763	0.82	1.05	0.88	0.74	1.51
Debrisoquin_1	ME107798	0.85	0.87	0.99	0.89	1.40
2-Naphthylamine	ME107733	0.77	0.71	1.51	0.72	1.28
(9Z)-Octadecenoic acid	ME107699	0.93	0.79	1.29	0.82	1.17
SN-GLYCEROL 3-PHOSPHATE	ME107916	0.89	1.25	0.94	0.79	1.13
N-ACETYLPUTRESCINE	ME107881	1.28	0.66	1.00	0.98	1.09
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate	ME107716	1.16	1.00	0.86	1.02	0.95
Debrisoquin_2	ME107799	1.26	0.93	0.87	0.92	1.02
Sulcatone	ME107921	1.30	0.84	0.90	1.00	0.96
Isoprothiolane	ME107837	0.85	1.12	1.25	0.93	0.85
Hypoxanthine	ME107833	0.82	1.12	1.25	0.96	0.85
Inosine	ME107836	0.82	1.13	1.26	0.93	0.86
L-Pipecolate	ME107859	0.95	0.92	1.22	0.93	0.98
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate	ME107702	0.90	0.90	1.28	0.95	0.97
N-Acetylornithine	ME107880	0.85	0.94	1.32	0.99	0.90
Borreverine	ME107781	0.90	0.89	1.41	0.91	0.89
Cholesterol sulfate	ME107791	0.94	0.88	1.32	0.93	0.93
Oxethazaine	ME107893	0.93	0.86	1.35	0.93	0.93
2-Aceto-2-hydroxybutanoate_2	ME107725	0.94	1.16	0.96	0.94	0.99
Indoleamine	ME107835	0.88	1.14	1.07	0.95	0.97
Piperidine	ME107902	0.94	1.22	1.06	0.87	0.92
Terpendole G	ME107923	0.95	1.14	1.13	0.91	0.86
Fomepizole_2	ME107819	1.08	1.16	1.03	0.87	0.84
11-Aminoundecanoic acid	ME107707	1.00	1.07	1.04	0.95	0.93
N-Acetyl-L-leucine	ME107878	1.04	1.08	1.09	0.88	0.91
2,5-Furandicarboxylate	ME107723	0.96	1.12	1.14	0.74	1.04
4-(beta-Acetylaminoethyl)imidazole	ME107746	0.88	1.00	1.25	0.85	1.03
Homoarginine	ME107831	0.86	1.02	1.18	0.88	1.06
sn-Glycero-3-phospho-1-inositol	ME107914	0.93	1.02	1.06	0.92	1.07
N-METHYL-D-ASPARTIC ACID	ME107888	0.89	1.07	1.08	0.87	1.10
trans-Cinnamate	ME107926	0.90	1.06	1.09	0.86	1.09
L-Arginine phosphate	ME107840	1.00	0.88	1.24	1.02	0.86
Leucocyanidin	ME107846	0.97	1.00	1.15	0.99	0.89
2,2-Dichloro-1,1-ethanediol_2	ME107715	0.93	0.91	1.18	1.06	0.91
3-Chloro-D-alanine	ME107740	0.94	0.98	1.12	1.05	0.90
Methyl methanesulfonate	ME107870	0.94	0.96	1.15	1.08	0.87
L-Tyrosine methyl ester	ME107864	1.01	0.90	1.03	1.09	0.96
2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate	ME107728	1.02	0.93	1.05	1.04	0.96
2-Methoxyestrone 3-sulfate	ME107731	1.02	0.90	1.06	1.06	0.96
Bakankoside	ME107772	1.00	0.92	1.05	1.07	0.95
dUTP	ME107808	1.03	0.95	1.02	1.07	0.92
Jamaicamide B	ME107838	0.99	0.97	1.06	1.08	0.90
8-Deoxylactucin	ME107758	1.03	1.00	1.06	0.99	0.92
Loperamide	ME107855	1.03	0.97	1.10	0.99	0.91
Magnoshinin	ME107867	1.01	0.97	1.04	1.02	0.96
ETHANOLAMINE PHOSPHATE	ME107810	0.97	0.96	1.09	1.02	0.96
Fluoroacetate_1	ME107815	0.97	0.97	1.10	1.02	0.94
2,4-Diamino-6-nitrotoluene	ME107718	1.04	1.03	0.92	1.01	1.00
Aminoacetone_1	ME107765	1.05	1.02	0.89	1.04	1.00
Aminoacetone_2	ME107766	0.99	0.97	0.94	1.08	1.02
2,4-Diaminotoluene	ME107719	1.01	1.01	0.93	1.06	0.99
2-Methylpropanamine	ME107732	1.01	0.99	0.91	1.07	1.02
Phenylhydrazine	ME107899	1.01	1.02	0.89	1.07	1.01
1,4-Dithiane	ME107706	0.95	1.08	0.96	1.01	0.99
Levamisole	ME107847	0.99	1.07	0.98	1.04	0.92
N-Methylethanolamine phosphate_1	ME107889	1.01	0.96	1.04	0.95	1.03
Xanthine	ME107934	1.00	0.98	1.01	0.94	1.07
Phendimetrazine	ME107895	1.02	1.02	0.99	0.96	1.01
URATE	ME107931	1.03	1.00	0.98	0.95	1.04
TAURINE	ME107922	0.97	1.02	1.03	0.94	1.04
2-Aceto-2-hydroxybutanoate_1	ME107724	0.98	1.02	0.99	0.98	1.03
Botrydial	ME107782	0.98	1.00	1.01	0.97	1.04
epsilon-Caprolactam	ME107809	0.94	1.01	1.00	1.04	1.02
2-Hydroxycyclohexan-1-one	ME107729	0.96	1.00	1.02	1.02	1.00
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	ME107698	0.98	0.98	1.00	1.02	1.01
Butoctamide hydrogen succinate	ME107787	0.97	0.98	1.01	1.04	1.00
Bisphenol B	ME107780	0.98	1.01	0.97	1.01	1.02
1-Octanal	ME107712	0.99	1.01	0.99	1.03	0.99
Phenmetrazine	ME107896	0.98	1.00	0.99	1.04	0.99
Fosetyl_1	ME107820	1.00	0.99	0.98	1.03	1.00
(-)-Menthyl acetate	ME107697	1.01	0.98	0.98	1.03	1.00
2,2-Dichloro-1,1-ethanediol_1	ME107714	1.00	0.99	0.98	1.02	1.01
N-Amidino-L-glutamate	ME107882	1.00	0.99	0.98	1.02	1.02
gamma-Coniceine	ME107822	1.01	1.00	0.97	1.03	1.00
Bis(chloromethyl) ether_1	ME107778	1.01	1.00	0.97	1.02	1.01
Bis(chloromethyl) ether_2	ME107779	1.00	1.00	0.97	1.02	1.01
Calcium L-aspartate	ME107789	1.04	0.97	0.97	1.02	1.01
Creatine	ME107794	1.02	0.97	0.97	1.01	1.03
Bensulfuron-methyl	ME107774	0.99	0.98	0.96	1.04	1.04
Brunfelsamidine	ME107783	1.01	0.99	0.95	1.02	1.03
16-Feruloyloxypalmitate	ME107708	0.97	1.00	1.04	0.97	1.02
Fomepizole_1	ME107818	1.00	1.01	1.04	0.95	1.00
Trp-P-1	ME107930	0.99	1.01	1.03	0.96	1.01
Acetyl phosphate	ME107762	1.00	0.99	1.04	0.98	0.99
N-Methylethanolamine phosphate_2	ME107890	0.99	1.01	1.04	0.98	0.99
2-Thiophenesulfonamide	ME107735	0.99	1.01	1.04	0.97	0.98
Lovastatin	ME107856	0.98	1.01	1.05	0.97	0.98
Ethephon	ME107811	1.02	1.01	0.96	1.00	1.01
Ethylenethiourea_2	ME107814	1.02	1.01	0.98	0.99	1.00
S-(2-Chloroethyl)glutathione	ME107912	1.02	1.01	0.98	0.99	1.00
Methamphetamine	ME107869	1.01	0.99	1.02	1.00	0.98
Nicotinamide	ME107886	1.03	0.98	1.02	0.98	1.00
2-Hydroxyfelbamate	ME107730	1.03	0.97	1.00	1.00	1.00
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate	ME107738	1.01	0.97	1.01	1.00	1.00
Paspalinine	ME107894	1.00	1.03	1.00	0.99	0.98
4-Phenethylphenol	ME107755	1.01	0.99	1.00	0.99	1.01
Buddledin A_1	ME107784	1.02	0.99	1.00	0.98	1.01
Fluoroacetate_3	ME107817	1.00	1.01	0.99	0.99	1.01
2,5-Dichloro-4-oxohex-2-enedioate_2	ME107721	1.00	1.00	1.00	0.99	1.01
9,12,13-TriHOME	ME107760	1.00	1.00	0.99	0.99	1.01
Fluoroacetate_2	ME107816	0.99	1.01	1.00	0.99	1.01
N-Acetyl-L-phenylalanine	ME107879	0.99	1.00	1.00	0.99	1.02
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	ME107775	1.00	0.99	1.01	1.00	1.00
Precocene II	ME107904	0.99	0.99	1.01	1.01	1.00
Prostaglandin H2	ME107906	0.99	1.00	1.00	1.01	1.00
Xanthan	ME107933	1.00	1.00	1.00	1.00	0.99
Diallyl disulfide	ME107801	1.00	1.01	1.00	1.00	1.00
Gyromitrin	ME107827	1.00	1.00	1.00	1.00	1.00
1H-Imidazole-4-methanol_1	ME107710	1.00	1.00	1.00	1.00	1.00
1H-Imidazole-4-methanol_2	ME107711	1.00	1.00	1.00	1.00	1.00
Ethylenethiourea_1	ME107813	1.01	1.00	0.99	1.00	1.00
Octylamine	ME107891	1.01	0.99	0.99	1.00	1.01
2-Ethylhexyl phthalate	ME107727	1.00	1.00	0.98	1.01	1.00
Dichloromethane_1	ME107802	1.00	0.99	0.99	1.01	1.00
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate	ME107700	1.00	0.99	0.99	1.02	1.00
Bakkenolide A	ME107773	0.98	1.01	1.01	0.99	1.00
Betamethasone	ME107777	0.98	1.02	1.00	1.00	1.00
3-Phosphonooxypyruvate	ME107745	1.01	1.01	1.02	0.97	0.99
Schizonepetoside E	ME107913	1.00	1.02	1.02	0.98	0.98
3-Butylidene-7-hydroxyphthalide	ME107739	0.99	1.01	1.02	0.99	1.00
3-(2-Hydroxyphenyl)propanoate	ME107736	0.99	1.00	1.02	0.98	1.00
3,4-Methylenedioxymethamphetamine	ME107737	0.99	1.01	1.02	0.98	0.99
alpha-Sinensal	ME107764	1.00	1.00	1.02	0.97	1.00
Cyclohexylsulfamate	ME107797	1.01	1.00	1.01	0.98	1.00
Dodecanamide	ME107806	1.00	1.00	1.01	0.98	1.00
Zingerone	ME107937	1.00	0.99	1.02	0.99	1.00
N-Ethylglycocyamine	ME107884	1.00	1.00	1.02	0.99	0.99
Phytuberin	ME107901	1.00	1.00	1.02	0.99	1.00
Calycanthidine	ME107790	1.00	0.99	1.02	0.98	1.01
L-Valine_2	ME107866	1.00	1.00	1.01	0.99	1.01
Phenylethyl alcohol	ME107898	1.00	1.00	1.01	0.99	1.01
9,10-Phenanthroquinone	ME107759	1.01	0.84	1.14	0.99	1.02
Metominostrobin	ME107871	1.01	0.85	1.16	1.00	0.98
Bufadienolide	ME107786	0.98	0.89	1.14	1.02	0.98
Dichloromethane_2	ME107803	0.96	0.92	1.13	1.05	0.95
DIMBOA	ME107804	0.98	1.05	1.06	0.95	0.96
Guanosine	ME107826	0.94	1.04	1.07	0.98	0.97
Amoxicillin	ME107767	0.97	1.03	1.06	0.98	0.97
SUCROSE	ME107920	0.96	1.02	1.06	0.96	0.98
Convallasaponin A	ME107793	0.99	1.01	1.07	0.94	0.99
Fosetyl_2	ME107821	1.00	1.01	1.07	0.94	0.98
3-Methyladenine	ME107744	0.97	1.02	1.10	0.94	0.97
Tolmetin sodium	ME107924	0.96	1.01	1.09	0.97	0.97
sn-Glycero-3-phosphoethanolamine	ME107915	0.94	1.01	1.12	0.89	1.03
Protoanemonin	ME107907	0.94	1.01	1.13	0.93	0.99
1,2,3-Trihydroxybenzene	ME107703	0.92	1.01	1.12	0.95	1.01
4-Hydroxy-2-butynal	ME107753	0.92	1.01	1.12	0.94	1.01
2,5-Dichloro-4-oxohex-2-enedioate_1	ME107720	0.95	1.02	1.08	0.94	1.01
L-CARNITINE	ME107843	0.94	0.99	1.07	0.95	1.04
2,3-Dimethylmaleate	ME107717	0.94	1.00	1.09	0.96	1.02
Lichenin	ME107850	0.94	0.99	1.10	0.96	1.01
Pirbuterol	ME107903	0.93	0.95	1.13	1.01	0.98
L-Methionine S-oxide	ME107854	0.91	0.94	1.16	0.97	1.02
N-ACETYL-DL-GLUTAMIC ACID	ME107876	0.90	0.98	1.13	0.99	1.00
Succinimide	ME107919	0.91	0.96	1.14	0.98	1.01
L-Phenylalanine	ME107858	0.95	0.89	1.14	0.98	1.03
4-Fluorocyclohexadiene-cis,cis-1,2-diol	ME107750	0.94	0.88	1.15	1.00	1.04
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	ME107885	0.94	0.89	1.14	0.99	1.04
LEUCINE	ME107845	0.97	0.90	1.11	0.98	1.04
Zeatin	ME107936	0.96	0.88	1.11	0.99	1.05
Dipropyl disulfide	ME107805	0.95	0.86	1.07	1.03	1.09
L-Methionine	ME107853	0.96	0.86	1.10	1.00	1.08
Buddledin A_2	ME107785	0.95	0.96	1.06	1.03	1.00
L-LYSINE	ME107852	0.93	0.97	1.06	1.00	1.04
Arg-OEt	ME107770	0.93	0.98	1.09	0.99	1.01
L-PROLINE	ME107860	0.95	0.95	1.10	0.98	1.01
L-TYROSINE	ME107863	0.95	0.97	1.09	0.98	1.01
Xanthurenic acid	ME107935	1.01	0.93	1.11	0.96	0.99
PHOSPHOCHOLINE	ME107900	1.00	0.95	1.08	0.95	1.02
L-THREONINE	ME107861	0.97	0.96	1.10	0.97	1.00
Phenylacetaldehyde	ME107897	0.99	0.95	1.10	0.96	1.00
2-Aminophenol	ME107726	0.98	0.94	1.06	1.01	1.01
3-HYDROXYKYNURENINE_1	ME107742	0.98	0.94	1.08	1.01	1.00
3-HYDROXYKYNURENINE_2	ME107743	0.98	0.94	1.08	1.00	1.00
N-(Acetyloxy)benzenamine	ME107873	0.98	0.93	1.10	0.97	1.02
Ethiofencarb	ME107812	0.98	0.93	1.10	0.99	1.00
L-HISTIDINE	ME107849	0.97	0.92	1.10	1.00	1.00
Riboflavin	ME107911	0.95	0.93	1.07	0.99	1.06
4-GUANIDINOBUTANOATE	ME107752	0.95	0.95	1.08	0.98	1.04
L-Valine_1	ME107865	0.96	0.94	1.08	0.99	1.03
2-Oxosuberate	ME107734	0.99	0.91	1.07	0.99	1.04
Deethylatrazine	ME107800	0.98	0.94	1.06	0.99	1.03
L-Tryptophan	ME107862	0.99	0.94	1.06	0.98	1.03
PUTRESCINE	ME107910	0.94	0.93	1.04	0.99	1.09
SPERMIDINE	ME107917	0.94	0.95	1.07	0.97	1.08
4-AMINOBUTANOATE	ME107749	0.95	0.93	1.10	0.93	1.10
4-IMIDAZOLEACETIC ACID	ME107754	0.97	0.94	1.09	0.94	1.06
1,2,6-Hexanetriol_1	ME107704	0.88	0.92	1.08	0.99	1.13
L-ASPARAGINE	ME107841	0.95	0.89	1.00	1.07	1.08
Trientine	ME107927	0.99	0.92	1.02	1.04	1.03
4-Aminobiphenyl	ME107748	1.01	0.87	1.03	0.97	1.11
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	ME107883	0.96	0.82	1.04	1.04	1.14
CREATINE	ME107795	1.09	0.90	1.19	0.77	1.05
Pulcherriminic acid	ME107909	1.12	0.79	1.06	0.87	1.16
Hyoscyamine methylbromide	ME107832	1.01	0.89	1.10	0.88	1.11
N-Acetyl-L-histidine	ME107877	1.03	0.88	1.10	0.89	1.10
Cadaverine	ME107788	0.95	0.88	1.18	0.93	1.06
Psicofuranine	ME107908	0.93	0.93	1.15	0.91	1.07
2-(6^-Methylthio)hexylmalic acid	ME107713	0.94	0.87	1.11	0.94	1.13
3-Hydroxyhexobarbital	ME107741	0.97	0.80	1.16	0.95	1.12
Glycerol	ME107824	1.15	0.76	0.84	0.97	1.28
Propanoate	ME107905	1.13	0.76	0.81	1.00	1.30
4-Guanidinobutanal	ME107751	1.12	0.87	0.94	0.90	1.18
BETA-ALANINE	ME107776	1.07	0.82	0.97	0.98	1.16
GLYCEROL	ME107823	1.13	0.80	0.86	1.00	1.20
L-Cysteate	ME107844	1.11	0.84	0.90	1.00	1.16
Monodehydroascorbate	ME107872	1.10	0.86	0.88	0.99	1.17
2,5-Dioxopentanoate	ME107722	0.97	0.92	0.95	0.90	1.25
Anthocyanin	ME107769	0.96	0.92	1.01	0.92	1.19
L-ARGININE	ME107839	0.94	1.01	0.96	0.98	1.11
Orthophosphate	ME107892	1.00	1.00	0.96	0.90	1.14
4,8-Dihydroxyquinoline	ME107747	1.05	1.03	0.86	0.87	1.19
5,6-Dihydrothymine	ME107757	0.97	0.99	0.90	0.81	1.33
GLYCINE	ME107825	1.07	0.93	0.82	0.87	1.31
Indole	ME107834	0.79	0.89	0.96	1.47	0.90
N6-(delta2-Isopentenyl)-adenine	ME107875	1.07	0.43	1.30	1.44	0.76
Trimethylamine N-oxide	ME107928	0.92	0.64	1.37	1.20	0.86
L-ASPARTATE	ME107842	1.04	0.69	1.12	1.26	0.89
L-Kynurenine	ME107851	1.04	0.73	1.06	1.17	1.00
MANNOSE	ME107868	1.32	0.70	0.65	1.06	1.28
Nicotinate	ME107887	1.17	0.63	0.84	0.94	1.43
Hexahomomethionine	ME107829	1.67	0.70	0.97	0.88	0.78
4-Vinylcyclohexene	ME107756	1.52	0.75	0.72	1.05	0.95
HISTAMINE	ME107830	1.46	0.68	0.83	1.16	0.86
Acadesine	ME107761	0.90	2.09	0.74	0.89	0.38
L-Palmitoylcarnitine	ME107857	0.71	1.83	0.77	0.52	1.18
URIDINE	ME107932	0.85	1.60	0.75	0.62	1.19
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	ME107709	1.14	1.47	0.62	0.75	1.03
Dodemorph	ME107807	0.99	1.60	0.93	0.70	0.78
Succinic anhydride	ME107918	0.87	1.80	0.81	0.77	0.75
AMP	ME107768	0.18	2.00	0.27	0.17	2.37
Tromethamine	ME107929	0.22	0.33	0.89	0.38	2.79

Factors:

F1	Phase:AD
F2	Phase:ED
F3	Phase:EN
F4	Phase:IBA
F5	Phase:LD

Data matrix