Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002447)

(Analysis AN003988)

Metabolite	Structure	F1	F2
7-Methylguanosine	ME578721	3.71	0.10
Xanthurenic acid	ME579023	NA	1.00
Xanthosine	ME579022	NA	1.00
Uric acid	ME579016	NA	1.00
Tulobuterol	ME579012	NA	1.00
Trimethylamine N-oxide	ME579008	NA	1.00
Spectinomycin	ME578982	NA	1.00
Sedoheptulose	ME578975	NA	1.00
Pyrimidine	ME578961	NA	1.00
Pilocarpine	ME578947	NA	1.00
Phosphorylcholine	ME578945	NA	1.00
Pararosaniline	ME578926	NA	1.00
o-Tyrosine	ME578917	NA	1.00
N-Methylnicotinamide	ME578901	NA	1.00
Nicotinic acid diethylamide	ME578910	NA	1.00
Niacinamide	ME578909	NA	1.00
Methylprednisolone succinate	ME578887	NA	1.00
Methionine sulfoxide	ME578883	NA	1.00
Mesterolone	ME578881	NA	1.00
m-Coumaric acid	ME578876	NA	1.00
L-Norleucine	ME578865	NA	1.00
L-Lysine	ME578862	NA	1.00
L-Homocystine	ME578860	NA	1.00
L-Histidine	ME578859	NA	1.00
L-Dopa	ME578856	NA	1.00
L-Carnitine	ME578855	NA	1.00
Lansoprazole	ME578870	NA	1.00
Hypoxanthine	ME578835	NA	1.00
Homoveratric acid	ME578832	NA	1.00
Glycine	ME578821	NA	1.00
Glycerophosphocholine	ME578820	NA	1.00
Glycerol	ME578819	NA	1.00
Glucosamine	ME578817	NA	1.00
DL-Homocystine	ME578803	NA	1.00
Dextromethorphan	ME578797	NA	1.00
D-Arabitol	ME578785	NA	1.00
Daidzein	ME578788	NA	1.00
Cytidine monophosphate	ME578784	NA	1.00
Creatinine	ME578780	NA	1.00
Cloprostenol	ME578778	NA	1.00
Citric acid	ME578774	NA	1.00
Cinnarizine	ME578770	NA	1.00
Atropine	ME578740	NA	1.00
Aniline	ME578737	NA	1.00
Amitriptyline	ME578736	NA	1.00
Allyl isothiocyanate	ME578729	NA	1.00
5-Hydroxy-L-tryptophan	ME578710	NA	1.00
4-Hydroxycyclohexylcarboxylic acid	ME578707	NA	1.00
3-Methyladipic acid	ME578699	NA	1.00
3-Hydroxymethylglutaric acid	ME578695	NA	1.00
11-Dehydrocorticosterone	ME578671	NA	1.00
2-Octenoic acid	ME578688	NA	1.00
Pyroglutamic acid	ME578963	0.05	1.32
Deoxyuridine	ME578795	0.02	1.33
Sulfamethoxypyridazine	ME578988	0.00	1.33
12-Hydroxydodecanoic acid	ME578673	0.10	1.30
Betamethasone dipropionate	ME578752	0.19	1.27
Inosine	ME578840	0.17	1.28
Picolinic acid	ME578946	0.15	1.28
Indoleacrylic acid	ME578839	0.35	1.44
6-Phosphogluconic acid	ME578719	0.42	1.39
Xylazine	ME579024	0.40	1.40
11a-Hydroxyprogesterone	ME578672	0.54	1.46
Homocysteine	ME578831	0.51	1.49
Methylcysteine	ME578885	0.51	1.49
Benzamide	ME578743	0.47	1.53
Sorbic acid	ME578980	0.42	1.58
Aminoadipic acid	ME578735	0.54	1.15
Clenbuterol	ME578776	0.53	1.24
Tryptamine	ME579010	0.59	1.27
Mifepristone	ME578891	0.66	1.23
Ureidopropionic acid	ME579015	0.64	1.24
Erythrose	ME578808	0.75	1.25
2-Furoic acid	ME578680	0.72	1.28
Pantothenic acid	ME578925	0.73	1.27
Deoxycholic acid glycine conjugate	ME578791	0.72	1.42
Adenine	ME578726	0.58	1.42
L(-)-Nicotine pestanal	ME578851	0.59	1.41
L-Acetylcarnitine	ME578852	0.61	1.39
Dosulepin	ME578804	0.60	1.40
Isoferulic acid	ME578844	0.60	1.40
7-Hydroxymemantine	ME578720	0.70	1.30
Indole-3-carboxylic acid	ME578838	0.68	1.32
Paromomycin	ME578928	0.69	1.31
Galactonic acid	ME578813	0.64	1.36
L-Glutamic acid	ME578857	0.63	1.37
D-Glucurono-6,3-lactone	ME578786	0.67	1.33
1,3,7-Trimethyluric acid	ME578664	0.66	1.34
Asymmetric dimethylarginine	ME578739	0.65	1.35
Gamma-terpinene	ME578814	0.13	1.87
Melatonin	ME578878	0.12	1.88
N,N-Dimethylformamide	ME578893	0.09	1.91
Pyrocatechol	ME578962	0.09	1.91
Cyclohexanone	ME578781	0.10	1.90
Diphenhydramine	ME578800	0.11	1.89
2-Methyl-4-nitroimidazole	ME578687	0.01	1.99
Acetaminophen	ME578722	0.05	1.95
Trans-Ferulic acid	ME579002	0.06	1.94
3-Methyl-2-oxovaleric acid	ME578698	0.31	1.69
L-Tryptophan	ME578868	0.31	1.69
Homatropine	ME578830	0.29	1.71
Traumatic acid	ME579003	0.29	1.71
Levofloxacin	ME578871	0.36	1.64
Capsaicin	ME578760	0.34	1.66
Triethylamine	ME579005	0.33	1.67
Pyruvaldehyde	ME578964	0.33	1.67
4-Aminohippuric acid	ME578704	0.33	1.67
4-Aminophenol	ME578705	0.33	1.67
Cis,cis-Muconic acid	ME578771	0.25	1.75
p-Hydroxyphenylacetic acid	ME578924	0.25	1.75
Hyodeoxycholic acid	ME578834	0.23	1.77
3,4,5-Trimethoxycinnamic acid	ME578692	0.23	1.77
Cinnamic acid	ME578769	0.23	1.77
Urocanic acid	ME579019	0.24	1.76
Perillyl alcohol	ME578934	0.24	1.76
Propranolol	ME578954	0.24	1.76
Sorbitol	ME578981	0.19	1.81
Phenylacetylglycine	ME578940	0.17	1.83
Ambroxol	ME578734	0.18	1.82
Pyridoxal	ME578958	0.18	1.82
Betaine	ME578751	0.22	1.78
Deoxyguanosine	ME578793	0.20	1.80
L-Proline	ME578867	0.20	1.80
Thymine	ME579000	0.21	1.79
Naringenin	ME578906	0.21	1.79
N-Formyl-L-methionine	ME578900	0.21	1.79
Umbelliferone	ME579013	0.23	1.51
2-Hydroxycaproic acid	ME578684	0.21	1.53
5^-Methylthioadenosine	ME578708	0.22	1.52
Hippuric acid	ME578829	0.22	1.52
N-Acetyl-L-tyrosine	ME578895	0.03	1.65
3,4-Dihydroxyphenylglycol	ME578693	0.09	1.61
Kynurenic acid	ME578850	0.13	1.58
L-Phenylalanine	ME578866	0.13	1.58
Trehalose	ME579004	1.37	0.81
Pyridoxal 5^-phosphate	ME578959	1.34	0.66
Selegiline	ME578976	1.33	0.67
Sisomicin	ME578979	1.33	0.67
Phosphonoacetate	ME578943	1.28	0.72
1-Methylhistidine	ME578669	1.27	0.73
Gluconolactone	ME578816	1.27	0.73
Pyridoxamine	ME578960	1.31	0.69
Riboflavin	ME578969	1.31	0.69
Salicin	ME578972	1.30	0.70
5-Phenylvaleric acid	ME578716	1.29	0.71
Phenylacetaldehyde	ME578938	1.29	0.71
17-Epiestriol	ME578674	1.33	0.51
2-Isopropylmalic acid	ME578686	1.27	0.59
Protocatechuic acid	ME578955	1.29	0.56
Prazosin	ME578950	1.46	0.69
Memantine	ME578879	1.39	0.61
Thymidine	ME578999	1.40	0.60
Praziquantel	ME578949	1.44	0.56
5-Methoxytryptamine	ME578713	1.43	0.57
Oxybuprocaine	ME578923	1.43	0.57
Allantoic acid	ME578727	1.47	0.53
17a-Ethynylestradiol	ME578676	1.46	0.54
Uridine	ME579017	1.46	0.54
L-Kynurenine	ME578861	1.07	0.96
Paraxanthine	ME578927	1.08	0.96
5-Dodecenoic acid	ME578709	1.05	0.95
DL-2-aminooctanoic acid	ME578801	1.05	0.93
Isopropyl alcohol	ME578846	1.05	0.93
Acrylamide	ME578725	1.09	0.94
Benzoic acid	ME578748	1.10	0.93
Lovastatin	ME578874	1.07	0.93
2-Hydroxy-3-methylbutyric acid	ME578681	1.07	0.93
Indole	ME578836	1.07	0.93
Sphinganine	ME578983	1.08	0.92
Butylscopolamine	ME578758	1.08	0.92
Estradiol	ME578809	1.08	0.92
Triprolidine	ME579009	1.08	0.87
L-Aspartyl-L-phenylalanine	ME578854	1.09	0.91
Iso-Valeraldehyde	ME578841	1.10	0.90
17-Hydroxyprogesterone	ME578675	1.10	0.90
Alpha-N-phenylacetyl-L-glutamine	ME578732	1.10	0.90
Buflomedil	ME578755	1.11	0.89
Methyl propenyl ketone	ME578884	1.11	0.89
Pentobarbital	ME578932	1.14	0.86
N-Acetyl-L-phenylalanine	ME578894	1.13	0.87
Bufexamac	ME578754	1.13	0.87
Isobutyric acid	ME578842	1.13	0.87
Cinchocaine	ME578767	1.12	0.88
Butanone	ME578756	1.12	0.88
Captopril	ME578761	1.12	0.88
Terephthalic acid	ME578995	1.19	0.87
3-Methoxyphenylacetic acid	ME578697	1.18	0.82
Quinic acid	ME578966	1.18	0.82
Propionic acid	ME578953	1.16	0.84
Rhamnose	ME578967	1.16	0.84
Benzene	ME578745	1.16	0.77
Butyl hydroxyanisole	ME578757	1.24	0.76
Phosphoric acid	ME578944	1.24	0.76
L-Malic acid	ME578863	1.20	0.80
Naproxen	ME578905	1.20	0.80
Diacetyl	ME578798	1.22	0.78
Perillic acid	ME578933	1.21	0.79
Timolol	ME579001	1.21	0.79
1-Butanol	ME578667	1.03	0.97
Medroxyprogesterone	ME578877	1.03	0.97
Uridine diphosphate-N-acetylglucosamine	ME579018	1.02	0.98
Heptadecanoic acid	ME578828	1.01	0.98
Linoleic acid	ME578872	1.01	0.99
L-Arginine	ME578853	0.94	1.03
DL-a-glycerophosphate	ME578802	0.94	1.06
6-Dimethylaminopurine	ME578717	0.96	1.04
Salbutamol	ME578971	0.96	1.04
Sphingosine	ME578984	0.95	1.05
Pyrantel	ME578956	0.95	1.05
Octadecanedioic acid	ME578918	0.95	1.05
Alloxan	ME578728	0.95	1.05
Benzalkonium chloride	ME578742	0.95	1.05
Ethambutol	ME578811	1.00	1.00
Colchicine	ME578779	1.00	1.00
2,5-Furandicarboxylic acid	ME578678	1.00	1.00
Acetic acid	ME578723	1.00	1.00
Succinylacetone	ME578986	0.99	1.01
Methylhippuric acid	ME578886	0.99	1.01
2-Hydroxybutyric acid	ME578683	0.99	1.01
Isoguanine	ME578845	0.99	1.01
NADH	ME578902	0.96	1.02
Dehydroascorbic acid	ME578789	0.98	1.02
Guanine	ME578826	0.98	1.02
Valeric acid	ME579020	0.97	1.03
Pentadecanoic acid	ME578931	0.97	1.03
Pyridine	ME578957	0.97	1.03
L-Valine	ME578869	0.78	1.22
Dequalinium chloride	ME578796	0.80	1.20
Nutriacholic acid	ME578916	0.80	1.20
Isocitric acid	ME578843	0.82	1.18
Sulfaphenazole	ME578989	0.82	1.18
Cis-Aconitic acid	ME578772	0.80	1.13
Phenol	ME578936	0.76	1.16
6-Methyladenine	ME578718	0.81	1.06
Citramalic acid	ME578773	0.90	1.06
Caffeine	ME578759	0.91	1.09
Chlorpheniramine	ME578765	0.91	1.09
Deoxycytidine	ME578792	0.90	1.10
Oxalacetic acid	ME578921	0.90	1.10
Acetylcysteine	ME578724	0.90	1.15
Elaidic acid	ME578806	0.85	1.15
Valproic acid	ME579021	1.00	NA
Thiamine	ME578998	1.00	NA
Tetrahydrozoline	ME578997	1.00	NA
Terbutaline	ME578994	1.00	NA
Tartaric acid	ME578992	1.00	NA
Succinic acid	ME578985	1.00	NA
Sepiapterin	ME578977	1.00	NA
Scopolamine	ME578973	1.00	NA
Prilocaine	ME578951	1.00	NA
Phenylbutazone	ME578941	1.00	NA
PC(16:0/16:0)	ME578929	1.00	NA
Omeprazole	ME578919	1.00	NA
Normetanephrine	ME578914	1.00	NA
Norfenefrine	ME578913	1.00	NA
Neostigmin	ME578908	1.00	NA
Metoclopramide	ME578889	1.00	NA
Isoxanthopterin	ME578848	1.00	NA
Guanidoacetic acid	ME578825	1.00	NA
Glutathione	ME578818	1.00	NA
Estrone	ME578810	1.00	NA
Diltiazem	ME578799	1.00	NA
Cytidine	ME578783	1.00	NA
Clomipramine	ME578777	1.00	NA
Aspartame	ME578738	1.00	NA
3-Indolepropionic acid	ME578696	1.00	NA
2-Phenylglycine	ME578690	1.00	NA
2-Phenylaminoadenosine	ME578689	1.00	NA
1,3-Dimethyluric acid	ME578666	1.00	NA
2-Hydroxyphenethylamine	ME578685	1.00	NA
Propanal	ME578952	1.27	0.20
1-Methyladenosine	ME578668	1.24	0.28
Sulfamethoxazole	ME578987	1.24	0.27
2-Hydroxyadenine	ME578682	1.23	0.31
Citrulline	ME578775	1.22	0.34
Fluoxetine	ME578812	1.43	0.14
PC(18:1(9Z)/18:1(9Z))	ME578930	1.46	0.08
Oxoglutaric acid	ME578922	1.31	0.08
Norepinephrine	ME578912	1.30	0.09
Serotonin	ME578978	1.30	0.10
Quinaldic acid	ME578965	1.32	0.04
Phenacetin	ME578935	1.33	0.02
Neopterin	ME578907	1.33	0.00
Phenoxyethanol	ME578937	1.33	0.00
5-Hydroxytryptophol	ME578712	1.88	0.12
Alpha-Terpineol	ME578733	1.87	0.13
Alpha-ketoisovaleric acid	ME578731	1.90	0.10
2-Aminobenzoic acid	ME578679	1.92	0.08
N,N-Dimethylaniline	ME578892	1.91	0.09
Carbamazepin	ME578762	2.00	0.00
Cysteamine	ME578782	1.99	0.01
Indole-3-carbinol	ME578837	1.97	0.03
Benzaldehyde	ME578741	1.96	0.04
2,3-Diaminopropionic acid	ME578677	1.95	0.05
Benzocaine	ME578747	1.95	0.05
Bezafibrate	ME578753	1.50	0.25
D-Serine	ME578787	1.42	0.37
m-Aminobenzoic acid	ME578875	1.45	0.32
Methyltestosterone	ME578888	1.46	0.31
Garamycin	ME578815	1.66	0.56
Sulfite	ME578990	1.64	0.36
Mevalonic acid	ME578890	1.62	0.38
2-Pyrrolidinone	ME578691	1.63	0.37
Guaifenesin	ME578824	1.63	0.37
Deoxyadenosine	ME578790	1.61	0.39
Phenytoin	ME578942	1.61	0.39
Chinine	ME578764	1.59	0.41
Benzylpenicillin	ME578750	1.60	0.40
Trimethoprim	ME579006	1.60	0.40
Glycylproline	ME578823	1.51	0.49
Nalidixid acid	ME578903	1.51	0.49
L-Glutamine	ME578858	1.50	0.50
Mepivacain	ME578880	1.50	0.50
Pipecolic acid	ME578948	1.55	0.45
Nifedipine	ME578911	1.54	0.46
5-Hydroxyindoleacetic acid	ME578711	1.54	0.46
N-Acetylserotonin	ME578899	1.54	0.46
Isovalerylcarnitine	ME578847	1.58	0.42
1,3,5-Trimethoxybenzene	ME578663	1.57	0.43
Cinnamaldehyde	ME578768	1.56	0.44
Tamoxifen	ME578991	1.56	0.44
3-Nitrotyrosine	ME578701	1.56	0.17
Benzenebutanoic acid	ME578746	1.57	0.14
3-Phenoxypropionic acid	ME578702	1.65	0.02
Benzylnicotinate	ME578749	1.66	0.01
Deoxyinosine	ME578794	1.66	0.01
3,5-Dimethoxyphenol	ME578694	1.61	0.09
3-Methylindole	ME578700	1.62	0.07
Alpha-Aspartyl-lysine	ME578730	1.62	0.07
N-Acetylglutamic acid	ME578896	1.86	0.43
Enalapril	ME578807	1.83	0.17
Tryptophanol	ME579011	1.81	0.19
5-Methoxytryptophol	ME578715	1.80	0.20
Ketamine	ME578849	1.80	0.20
Phenylacetic acid	ME578939	1.79	0.21
Trimethylamine	ME579007	1.79	0.21
Lipoamide	ME578873	1.66	0.34
1,11-Undecanedicarboxylic acid	ME578662	1.67	0.33
5-Methoxytryptophan	ME578714	1.68	0.32
4-Chlorotestosterone-17-acetate	ME578706	1.70	0.30
4,5-Dihydroorotic acid	ME578703	1.71	0.29
Ribavirin	ME578968	1.71	0.29
N-Acetylputrescine	ME578898	1.74	0.26
Orotic acid	ME578920	1.73	0.27

Factors:

F1	Group:CP27
F2	Group:CP36

Data matrix