Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002003)

(Analysis AN003266)

Metabolite	Structure	F1	F2
Sulfamethoxazole	ME462248	0.01	2.15
Carbamazepine	ME462070	0.08	2.08
Pantoprazole	ME462094	0.10	2.05
Trimethoprim	ME462259	0.12	2.02
Lansoprazole	ME462205	0.52	1.56
Pyrantel	ME462236	0.52	1.56
Mefenorex	ME462210	0.32	1.80
Trileptal	ME462106	0.37	1.73
Acyclovir	ME462153	1.84	0.02
Betaine aldehyde cation	ME462164	1.85	0.01
Lamotrigine;	ME462204	1.85	0.01
Guanine	ME462079	1.80	0.07
Modafinil	ME462090	1.79	0.08
Trazodone	ME462256	1.79	0.08
Acetazolamide	ME462151	1.82	0.06
Irbesartan	ME462195	1.82	0.04
Gabapentin	ME462184	1.71	0.18
Atenolol	ME462158	1.77	0.10
Metoprolol acid	ME462215	1.77	0.11
Ranitidine	ME462243	1.74	0.13
Ranitidine N-oxide	ME462244	1.75	0.13
Tapentadol-.beta.-D-glucuronide	ME462249	1.46	0.46
Metformin	ME462212	1.55	0.36
Scopoletin	ME462295	1.53	0.38
Ticlopidine	ME462296	1.53	0.38
6-Hydroxyflavone	ME462272	1.49	0.43
Tri-2-ethylhexyl trimellitate	ME462257	1.50	0.41
Omeprazole sulfone N-oxide	ME462231	1.52	0.40
Metoprolol	ME462214	1.51	0.41
Omeprazole sulfone	ME462230	1.51	0.40
Codeine-6-.beta.-D-glucuronide	ME462170	1.58	0.32
Albendazole	ME462276	1.59	0.31
3-Cysteinylacetaminophen	ME462134	1.60	0.30
Quetiapine sulfoxide	ME462240	1.60	0.31
Modafinil acid	ME462217	1.67	0.22
Matrine	ME462209	1.64	0.25
p-Acetamidophenyl .beta.-D-glucuronide	ME462233	1.65	0.24
Acetominophen	ME462273	1.65	0.24
Diazepam	ME462074	1.65	0.24
Temazepam	ME462104	1.23	0.73
Palmitamide	ME462234	1.22	0.74
Theanine;	ME462251	1.22	0.74
Tauroursodeoxycholic acid	ME462250	1.26	0.70
Ranitidine-S-oxide	ME462245	1.24	0.72
Quetiapine	ME462239	1.25	0.71
Pyridoxal	ME462237	1.25	0.71
Levocetirizine;	ME462208	1.25	0.71
Milnacipran	ME462216	1.25	0.71
Toradol	ME462298	1.31	0.64
R-(-)-O-Desmethylvenlafaxine	ME462241	1.29	0.66
Meprobamate	ME462088	1.27	0.68
Prazepam	ME462293	1.28	0.68
Gly-Pro-Arg	ME462186	1.28	0.67
7-Hydroxywarfarin	ME462148	1.28	0.67
Cotinine N-.beta.-D-glucuronide	ME462171	1.28	0.67
4-Pyridoxic acid;	ME462143	1.34	0.60
Thr-Ile-Arg	ME462253	1.34	0.60
Ser-Tyr-Lys	ME462246	1.36	0.58
Penciclovir	ME462096	1.36	0.58
Pyridoxine;	ME462238	1.36	0.58
4,5,7-Trihydroxyisoflavone	ME462271	1.39	0.54
Aminodiphenylmethane	ME462156	1.39	0.54
N.alpha.-Methyl-L-lysine	ME462223	1.39	0.55
Topiramate	ME462297	1.39	0.55
Alprazolam	ME462066	1.41	0.52
Esomeprazole	ME462076	1.42	0.51
Methylgallate	ME462285	1.42	0.51
Nudifloramide	ME462227	1.03	0.97
L-Carnitine	ME462197	1.03	0.97
Isoleucine	ME462083	1.03	0.97
alpha-Methylhistidine;	ME462155	1.03	0.97
3-Hydroxybutyrylcarnitine	ME462136	1.03	0.97
(2R)-3-Hydroxyisovaleroylcarnitine	ME462112	1.03	0.97
1,2-Dimethylimidazole	ME462125	1.03	0.97
1-Methylnicotinamide	ME462263	1.03	0.97
Hexanoyl-L-carnitine	ME462191	1.03	0.96
D-Fructose	ME462279	1.03	0.96
Borrelidin	ME462166	1.03	0.96
Androstan-3-ol-17-one 3-glucuronide	ME462157	1.03	0.96
Acetyl-DL-carnitine	ME462152	1.03	0.96
2,2-Bishydroxymethyl]-2,2^,2^^-nitrilotriethanol	ME462130	1.03	0.96
1-Acetyl-3-piperidinamine	ME462115	1.03	0.96
1-Methyl-L-histidine	ME462117	1.03	0.96
Ala-Ile	ME462275	1.04	0.95
Ornithine	ME462291	1.04	0.96
N-Methylhistidine	ME462092	1.04	0.96
N-Acetyl-L-carnosine	ME462222	1.04	0.96
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine	ME462124	1.04	0.96
N-Acetyl-D-norleucine	ME462221	1.04	0.96
Tryptophan	ME462108	1.02	0.98
Methionine	ME462089	1.02	0.98
Hypoxanthine	ME462082	1.02	0.98
Glutamine	ME462078	1.02	0.98
Ethyldiethanolamine	ME462181	1.02	0.98
Ergothioneine	ME462075	1.02	0.98
D-Pyroglutamic acid	ME462174	1.02	0.98
1-Methyladenosine A	ME462065	1.02	0.98
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine	ME462123	1.02	0.98
D-erythro-Sphingosine-1-phosphate	ME462173	1.02	0.97
DL-Indole-3-lactic acid	ME462179	1.02	0.97
Norleucine	ME462290	1.01	0.98
N.epsilon.-Methyl-L-lysine	ME462225	1.01	0.98
L-Cystine	ME462200	1.01	0.98
L-Threonine	ME462202	1.01	0.98
Urocanic acid;	ME462261	1.01	0.99
Tyrosine	ME462109	1.01	0.99
Theobromine	ME462252	1.01	0.99
Proline	ME462294	1.01	0.99
N-.alpha.-Acetyl-L-arginine	ME462219	1.01	0.99
Histidine	ME462081	1.01	0.99
Decanoyl-L-carnitine	ME462175	1.01	0.99
Creatinine	ME462073	1.01	0.99
7.alpha.-Hydroxy-3-oxo-4-cholestenoic acid	ME462150	1.01	0.99
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1^-myo-inositol)	ME462122	1.01	0.99
4-Acetamidobutyric acid	ME462270	1.01	0.99
Isopentenyladenine	ME462084	1.00	0.99
L-Tyrosine	ME462203	1.00	0.99
Urea	ME462260	0.98	1.02
L-Cysteine-glutathione disulfide	ME462199	0.98	1.02
Kynurenine	ME462085	0.98	1.02
Coniferylaldehyde	ME462277	0.98	1.02
7-Methylguanosine	ME462149	0.98	1.02
5^-S-Methylthioadenosine	ME462146	0.98	1.02
1-Oleoyl-sn-glycero-3-phosphoethanolamine	ME462119	0.98	1.02
(3-Carboxypropyl)trimethylammonium cation	ME462113	0.98	1.02
(R)-Butyrylcarnitine	ME462114	0.98	1.03
Phenylacetylglutamine	ME462097	0.98	1.03
3-Aminoquinoline	ME462133	0.98	1.03
Montelukast-1,2-diol	ME462218	0.98	1.03
SDMA	ME462101	0.99	1.01
Pipecolic acid	ME462292	0.99	1.01
Oleoyl-L-carnitine	ME462229	0.99	1.01
Octanoylcarnitine	ME462228	0.99	1.01
L-Citrulline	ME462198	0.99	1.01
.epsilon.-Caprolactam	ME462111	0.99	1.01
Citrulline	ME462072	0.99	1.01
Carnitine	ME462071	0.99	1.01
Biliverden	ME462068	0.99	1.01
Betaine	ME462163	0.99	1.01
Albendazole sulfoxide	ME462154	0.99	1.01
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine	ME462120	0.99	1.01
3-Dehydrocarnitine	ME462135	0.99	1.01
Propionylcarnitine	ME462100	1.00	1.00
Phenylalanine	ME462098	1.00	1.00
2-Amino-1-phenylethanol	ME462126	1.00	1.00
Heptadecasphing-4-enine	ME462190	1.00	1.00
Stachydrine	ME462247	0.95	1.06
Indole-3-propionic acid	ME462283	0.95	1.06
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	ME462226	0.95	1.06
Isopropylamine	ME462196	0.97	1.04
5^-S-Methyl-5^-thioadenosine	ME462145	0.97	1.04
2-Indolinone	ME462128	0.97	1.04
4^-Methyl-N-methylhexanophenone	ME462144	0.97	1.04
Phenylacetyl-L-glutamine	ME462235	0.97	1.03
N-Methylproline	ME462288	0.97	1.03
3-Pyridinemthanol	ME462267	0.97	1.03
Choline cation	ME462168	0.97	1.03
Naproxen	ME462093	0.96	1.05
Adenosine	ME462274	0.96	1.05
Linoleoylcarnitine	ME462301	0.96	1.05
D-Turanose	ME462280	0.96	1.04
Telmisartan	ME462103	0.96	1.04
N-Acetylhistidine	ME462287	1.08	0.91
3-Hydroxyoleylcarnitine	ME462137	1.09	0.90
4-Fluoro-.alpha.-pyrrolidinobutiophenone	ME462142	1.09	0.90
N-(3-(Aminomethyl)benzyl)acetamidine	ME462220	1.08	0.90
Methioninesulfoxide	ME462284	1.08	0.90
Homoarginine;	ME462192	1.08	0.90
Benthiavalicarb-isopropyl	ME462161	1.08	0.90
Cyclo(Leu-Pro)	ME462278	1.08	0.90
threo-Dihydrobupropion	ME462254	1.11	0.88
Serotonin	ME462102	1.09	0.89
H-gamma-glutamyl-glutamine	ME462080	1.10	0.88
Glutamic acid	ME462077	1.10	0.89
4-Aminomethylcyclohexanecarboxylic acid;	ME462141	1.10	0.89
.beta.-Phenyl-.gamma.-aminobutyric acid	ME462110	1.10	0.89
N8-Acetylspermidine	ME462289	1.05	0.94
Arginine	ME462067	1.05	0.95
Atorvastatin	ME462159	1.05	0.95
3-Methylxanthine	ME462140	1.07	0.92
Ethiolat	ME462180	1.07	0.92
N.epsilon.-Acetyl-L-lysine	ME462224	1.06	0.93
Lysine	ME462087	1.06	0.93
Creatine	ME462172	1.06	0.93
Glycodeoxycholic acid	ME462188	1.06	0.93
Usnic acid	ME462262	1.12	0.86
N-Acetylalanine	ME462091	1.12	0.86
Moxonidine	ME462286	1.12	0.86
Lauric acid diethanolamide	ME462206	1.12	0.86
Bradykinin	ME462167	1.12	0.86
Glycocholic acid	ME462187	1.12	0.86
L-Leucine, methyl ester	ME462201	1.13	0.85
Guanidine	ME462189	1.13	0.85
H-Pro-Hyp-OH	ME462282	1.13	0.85
Pantothenic acid	ME462095	1.13	0.84
trans-3^-Hydroxycotinine	ME462255	1.14	0.84
3-(1-Pyrazolyl)-alanine	ME462266	1.14	0.84
3-Amino-1-propanol	ME462132	1.14	0.84
Ondansetron	ME462232	1.20	0.77
Trimethylamine-N-oxide	ME462299	1.19	0.78
2-Hydroxyibuprofen	ME462127	1.18	0.79
1-Acetyl-4-piperidinamine	ME462116	1.18	0.80
Meloxicam	ME462211	1.17	0.80
Ile-Glu-Arg	ME462194	1.17	0.80
2,6-Diaminopimelic acid	ME462265	1.17	0.80
Dinor-12-oxophytodienoic acid	ME462177	1.17	0.80
3,5-Dihydroxyphenylglycine	ME462269	1.16	0.82
Ethylenediaminetetraacetic acid	ME462182	1.16	0.81
Glaucine	ME462185	1.16	0.81
1-Phenylpyrrolidine	ME462121	1.15	0.83
rac-4-Sulfoxypropranolol	ME462242	1.15	0.82
cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine	ME462169	0.73	1.31
Caffeine	ME462069	0.76	1.28
Fexofenadine	ME462183	0.76	1.28
Benzophenone-3	ME462162	0.68	1.38
3-Methylglutarylcarnitine	ME462139	0.71	1.34
Hydroxybupropion	ME462193	0.70	1.35
Betonicine	ME462165	0.84	1.19
Trigonelline	ME462258	0.84	1.19
1-Oleoyl-2-acetyl-sn-glycerol	ME462118	0.80	1.23
3-Hydroxypyridine	ME462138	0.82	1.21
Dexpanthenol	ME462176	0.82	1.21
2,2^,2^^-Nitrilotriethanol	ME462131	0.87	1.16
Piperine	ME462099	0.87	1.16
D-.alpha.-Cyclohexylglycine	ME462300	0.87	1.15
Diphenhydramine	ME462178	0.87	1.15
Triptolide	ME462107	0.89	1.13
1-Monostearin	ME462264	0.88	1.14
Losartan	ME462086	0.88	1.14
2-Methylbutyryl-L-carnitine	ME462129	0.90	1.11
Testosterone	ME462105	0.90	1.12
Avobenzone	ME462160	0.92	1.10
3,4-Dimethoxybenzaldehyde	ME462268	0.92	1.09
Methacholine cation	ME462213	0.92	1.09
6-Methoxynaphthaleneacetic acid	ME462147	0.94	1.07
Ezetimibe	ME462281	0.93	1.08
Lauroyl-L-carnitine	ME462207	0.93	1.08

Factors:

F1	treatment:case
F2	treatment:control

Data matrix