Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000444)

(Analysis AN000695)

Metabolite	Structure	F1	F2
Pimelylcarnitine	ME150380	0.47	1.53
Dihydroisomorphine-3-glucuronide	ME150399	2.47	0.26
Cabergoline	ME150402	2.13	0.43
PC(14:00P-18:1(11Z))	ME150415	2.14	0.43
Verapamil	ME150270	1.00	NA
Trimethoprim	ME150258	1.00	NA
Terfenadine	ME150266	1.00	NA
Netilmicin	ME150371	1.00	NA
Meperidine	ME150354	1.00	NA
L-Histidine	ME150277	1.00	NA
D-Glucose	ME150370	1.00	NA
CD 1790	ME150412	1.00	NA
Candesartan	ME150343	1.00	NA
1-Methylhistidine	ME150275	1.00	NA
3-Dechloroethylifosfamide	ME150409	1.00	NA
Acenocoumarol	ME150376	1.88	0.12
Mepyramine	ME150248	1.83	0.17
15beta-hydroxycyproterone acetate	ME150316	1.84	0.16
2-Octenoylcarnitine	ME150383	1.84	0.16
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide	ME150386	1.69	0.31
Imiquimod	ME150346	1.68	0.32
15(S)-HETE	ME150299	1.68	0.32
Cyclopentolate	ME150259	1.68	0.32
Androstenedione	ME150319	1.70	0.30
O-Desmethylverapamil (D-702)	ME150269	1.70	0.30
Levonorgestrel	ME150322	1.72	0.28
SR 494980MC-207,110	ME150344	1.71	0.29
Haloperidol 1,2,3,6-tetrahydropyridine	ME150268	1.71	0.29
2,3-Dinor-6-keto-prostaglandin F1 a	ME150303	1.71	0.29
Decanoylcarnitine	ME150287	1.71	0.29
Cinnarizine	ME150263	1.81	0.19
Nadolol	ME150246	1.78	0.22
D-Urobilinogen	ME150349	1.80	0.20
Glisoxepide	ME150271	1.79	0.21
Caprylic0Octanoic acid	ME150291	1.79	0.21
Docosahexaenoic acid	ME150296	1.79	0.21
Linoleic acid	ME150390	1.76	0.24
Acitretin	ME150335	1.76	0.24
9-Decenoylcarnitine	ME150282	1.76	0.24
17a-Ethynylestradiol	ME150323	1.76	0.24
2,3-Dinor-TXB2	ME150304	1.76	0.24
Palmitoyl glucuronide	ME150387	1.74	0.26
2,3-Methyleneglutaric acid	ME150292	1.74	0.26
Alosetron	ME150357	1.74	0.26
Prostaglandin E2	ME150297	1.73	0.27
Dipivefrin	ME150247	1.73	0.27
Mestranol	ME150321	1.73	0.27
Levocabastine	ME150355	1.58	0.42
3-Hydroxytetradecanedioic acid	ME150295	1.58	0.42
Delta-12-Prostaglandin J2	ME150302	1.58	0.42
Mifepristone	ME150327	1.59	0.41
Ethacrynic acid	ME150260	1.59	0.41
17-Hydroxyprogesterone	ME150314	1.59	0.41
Buspirone N-oxide	ME150339	1.59	0.41
Erlotinib	ME150358	1.60	0.40
Retinoyl b-glucuronide	ME150336	1.60	0.40
Prostaglandin F2a	ME150301	1.64	0.36
Ixabepilone	ME150378	1.64	0.36
Leukotriene B4	ME150300	1.64	0.36
Megestrol	ME150388	1.66	0.34
Gentamicin	ME150372	1.65	0.35
Clidinium	ME150261	1.65	0.35
b-Dihydrotetrabenazine	ME150410	1.65	0.35
Alvimopan	ME150273	1.65	0.35
2-Hydroxyestradiol-3-methyl ether	ME150325	1.65	0.35
3-Hydroxy-cis-5-tetradecenoylcarnitine	ME150288	1.65	0.35
Artemether	ME150333	1.61	0.39
2-Octenedioic acid	ME150293	1.61	0.39
Anserine	ME150276	1.61	0.39
Fluspirilene	ME150267	1.62	0.38
Desmosine	ME150381	1.63	0.37
Deoxydihydro-artemisinin	ME150392	1.63	0.37
Carphenazine	ME150363	1.63	0.37
15-Deoxy-d-12,14-PGJ2	ME150298	1.63	0.37
Bepridil	ME150250	1.63	0.37
Tetrahydrocortisone0Urocortisone	ME150306	1.53	0.47
12-Hydroxynevirapine glucuronide	ME150368	1.52	0.47
Nevirapine	ME150397	1.52	0.48
Nabilone	ME150362	1.52	0.48
1,3-Diacetylpropane	ME150366	1.52	0.48
Homovanillic acid	ME150256	1.52	0.48
Aldosterone	ME150307	1.51	0.49
Ellagic acid	ME150377	1.50	0.50
L-Octanoylcarnitine	ME150281	1.54	0.46
5a-Tetrahydrocortisol	ME150305	1.54	0.46
16-a-Hydroxypregnenolone	ME150315	1.54	0.46
(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine	ME150364	1.54	0.46
Methylergonovine	ME150414	1.55	0.45
Succinylacetone	ME150382	1.55	0.45
NNAL-N-glucuronide	ME150369	1.56	0.44
Carvedilol	ME150359	1.56	0.44
16α-hydroxyprednisolone	ME150308	1.56	0.44
6beta-hydroxybudesonide	ME150309	1.56	0.44
7C-aglycone	ME150334	1.57	0.43
Tafluprost free acid	ME150404	1.57	0.43
Quinine	ME150401	1.49	0.51
N1-Methyl-2-pyridone-5-carboxamide	ME150353	1.49	0.51
Dimenhydrinate	ME150265	1.49	0.51
2-Hydroxy-imipramine glucuronide	ME150361	1.49	0.51
Creatinine	ME150345	1.49	0.51
(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid	ME150310	1.48	0.52
L-Lysine	ME150278	1.48	0.52
N-desmethylimatinib	ME150272	1.47	0.53
10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide	ME150391	1.47	0.53
Cortolone-3-glucuronide	ME150311	1.47	0.53
Proline betaine	ME150279	1.46	0.54
Difluprednate	ME150318	1.46	0.54
Edrophonium	ME150257	1.46	0.54
Androsterone glucuronide	ME150312	1.42	0.58
Dityrosine	ME150379	1.41	0.59
Hydralazine	ME150356	1.41	0.59
4-Hydroxynonenal	ME150385	1.45	0.55
Alizapride	ME150394	1.45	0.55
AFN911	ME150413	1.43	0.57
Phosphoramide mustard	ME150408	1.44	0.56
Deoxyartemsinin	ME150393	1.44	0.56
Dibucaine0cinchocaine	ME150348	1.44	0.56
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone	ME150332	0.98	1.02
Propofol	ME150254	0.99	1.01
2-Methylbutyroylcarnitine	ME150284	1.00	1.00
Perillic acid	ME150330	1.00	1.00
Nizatidine	ME150342	1.06	0.94
Acetyldigitoxin	ME150328	1.04	0.96
Phthalic acid	ME150252	1.04	0.96
2-Methyl-4-heptanone	ME150367	1.02	0.98
5^-(3^-Methoxy-4^-hydroxyphenyl)-gamma-valerolactone	ME150255	1.03	0.97
Piperitone	ME150405	0.79	1.10
L-Hexanoylcarnitine	ME150286	0.89	1.11
2-pentylfuran	ME150350	0.93	1.07
Azelaic acid	ME150290	0.94	1.06
Caffeine	ME150400	1.19	0.81
cis-4-Hydroxycyclohexylacetic acid	ME150365	1.20	0.80
Ranolazine	ME150280	1.21	0.79
4-Hydroxypropofol	ME150253	1.22	0.78
8-Hydroxycarvedilol	ME150411	1.22	0.78
Trimipramine	ME150360	1.23	0.77
Thymol	ME150331	1.24	0.76
5-Hydroxymethyl tolterodine	ME150262	1.24	0.76
Procyclidine	ME150249	1.24	0.76
Diisobutyl phthalate	ME150251	1.09	0.91
Tirofiban	ME150374	1.10	0.90
1-Methyladenosine	ME150403	1.17	0.83
Butyrylcarnitine	ME150283	1.17	0.83
Chloroquine	ME150347	1.16	0.84
Methyl 4,8-decadienoate	ME150285	1.16	0.84
Linalyl oxide	ME150351	1.13	0.87
2,2,4-Trimethyl-1,3-pentadienol diisobutyrate	ME150406	1.14	0.86
L-Tyrosine	ME150373	1.14	0.86
12-Hydroxynevirapine	ME150396	1.43	0.79
1-Methyl-4-nitroimidazole	ME150395	1.38	0.81
4-ene-Valproic acid	ME150407	1.28	0.72
Antrafenine	ME150340	1.29	0.71
Norethindrone	ME150324	1.29	0.71
PC(o-18:2(9Z,12Z)024:0)	ME150389	1.30	0.70
Umbelliferone	ME150375	1.30	0.70
2-Propyl-2,4-pentadienoic acid	ME150289	1.32	0.68
Vitamin D2 3-glucuronide	ME150337	1.31	0.69
2,6-Di-tert-butylbenzoquinone	ME150329	1.31	0.69
Thiabendazole	ME150352	1.31	0.69
Terazosin	ME150338	1.35	0.65
Pivmecillinam	ME150274	1.36	0.64
Dipyridamole	ME150398	1.36	0.64
Estramustine	ME150326	1.36	0.64
Deoxycholic acid 3-glucuronide	ME150313	1.37	0.63
Traumatic acid	ME150294	1.38	0.62
2-Hydroxycaproic acid	ME150384	1.38	0.62
Fluocinonide	ME150317	1.38	0.62
Dehydroepiandrosterone	ME150320	1.40	0.60
Azlocillin	ME150341	1.39	0.61
Flunarizine	ME150264	1.39	0.61

Factors:

F1	Sample Treatment:Bubbled
F2	Sample Treatment:Control

Data matrix