Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002111)

(Analysis AN003454)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
Glutathione	ME515239	0.09	0.29	0.06	9.39	0.13	0.14	0.05	0.29
phenacetin	ME515291	0.09	0.21	0.10	8.69	0.17	0.44	0.49	0.19
Amphetamine	ME515186	0.18	6.97	0.21	0.97	0.50	0.42	0.20	0.28
Arsinic acid	ME515191	0.22	7.20	0.24	0.79	0.43	0.42	0.22	0.32
2,2^-Iminodipropan-1-ol	ME515136	0.18	1.58	0.35	0.21	0.15	5.30	0.77	0.23
2,5-Furandicarboxylic acid	ME515139	3.71	0.82	0.54	1.27	0.78	1.06	0.21	0.48
2-(2-Chlorophenyl)-6-hydroxy-2-(methylamino)cyclohexanone	ME515141	0.54	0.59	0.48	4.58	1.03	0.64	0.34	0.43
Pirprofen	ME515298	0.61	0.66	0.41	4.50	1.01	0.54	0.40	0.50
N-Acetyl-L-glutamic acid	ME515278	0.32	0.36	0.27	0.78	1.79	0.62	0.17	1.76
MFCD05664273	ME515273	0.52	0.57	0.29	0.54	1.73	0.53	0.09	1.85
N-Acetyl-1-aspartylglutamic acid	ME515277	0.45	0.47	0.25	0.47	1.78	0.48	0.08	1.94
(+)-Dizocilpine	ME515123	0.20	0.71	0.21	0.49	1.57	0.22	0.13	2.39
Triisopropanolamine	ME515316	0.36	0.71	0.24	0.90	1.53	0.29	0.22	2.06
2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one	ME515140	0.09	0.85	0.12	0.95	0.62	0.37	0.08	3.39
Val-Ser	ME515319	0.35	0.86	1.32	0.90	0.44	0.75	0.17	2.61
(+/-)-Eucalyptol	ME515124	0.24	0.76	0.44	1.43	0.64	0.57	2.49	1.58
EDDA	ME515225	0.96	1.47	1.57	1.61	0.24	2.74	0.58	0.26
DL-Ornithine	ME515224	1.19	2.47	0.76	1.79	0.37	1.96	0.31	0.44
Hypotaurine	ME515248	0.80	1.81	1.15	2.30	0.50	1.66	0.59	0.40
dacisteine	ME515209	0.91	1.50	0.68	2.71	0.26	2.24	0.60	0.46
ethyl argininate	ME515227	0.82	1.30	1.03	2.76	0.45	1.74	0.66	0.46
L-(+)-Cysteine	ME515254	0.54	0.19	1.79	0.90	0.97	1.06	0.47	1.56
DEHYDROASCORBIC ACID	ME515211	1.11	0.32	1.22	0.96	0.76	1.73	0.73	1.16
L-(+)-ERGOTHIONEINE	ME515255	1.25	0.55	1.33	1.42	0.69	1.66	0.44	0.98
Ketamine	ME515253	0.64	0.33	0.79	3.67	0.74	0.78	0.71	0.92
1,4-Dimethyl-3-(2-thienyl)-1H-pyrazolo[3,4-b]pyridin-6-ol	ME515132	0.90	0.56	0.88	3.45	0.92	0.63	0.56	0.67
clomazone	ME515200	1.00	0.88	0.91	3.10	1.00	0.57	0.48	0.60
Alanylclavam	ME515185	0.64	0.56	0.20	3.11	0.68	1.33	0.36	1.27
gamma-Aminobutyric acid	ME515233	0.58	0.65	0.40	2.61	0.93	1.21	0.36	1.16
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione	ME515134	0.48	1.22	0.45	2.72	1.03	0.74	0.45	0.97
ACETYL ARGININE	ME515180	0.57	1.08	0.56	2.88	0.91	0.92	0.75	0.75
Histamine	ME515246	0.83	0.81	0.60	2.95	0.85	0.64	0.58	1.05
Xylazine	ME515323	0.78	1.02	0.86	3.00	0.82	0.95	0.44	0.72
piroximone	ME515297	0.68	1.46	0.54	2.86	0.68	1.31	0.49	0.71
DL-Citrulline	ME515221	0.56	1.02	0.85	3.09	0.62	1.34	0.74	0.65
oxiracetam	ME515289	0.56	1.02	0.85	3.09	0.62	1.34	0.74	0.65
Bethanidine	ME515195	0.27	0.76	1.15	3.35	1.01	1.06	0.95	0.20
arg-ala	ME515189	0.88	1.82	1.03	3.28	0.51	0.85	0.44	0.53
Pyridoxal	ME515301	0.68	1.28	0.90	3.61	0.57	0.75	0.92	0.54
Pyridoxamine 5^-phospate	ME515303	0.47	1.33	1.03	3.61	0.47	0.90	1.01	0.55
deoxyhypusine	ME515212	1.41	0.83	0.25	1.33	1.45	0.97	0.17	0.93
Timonacic	ME515315	1.53	0.58	0.47	0.98	1.12	1.11	0.57	1.19
4-Hydroxy-3-(sulfooxy)benzoic acid	ME515155	1.13	0.14	0.77	2.35	1.04	1.51	0.07	0.88
Vitamin A	ME515320	0.49	1.34	0.99	1.44	0.81	0.84	1.47	0.99
Retinyl acetate	ME515306	0.68	1.83	0.85	1.77	0.44	1.49	1.59	0.55
THREO-SPHINGOSINE, (-)-	ME515312	0.40	1.74	0.65	2.26	0.70	1.28	1.44	0.47
Arachidonic acid	ME515187	0.52	1.31	0.86	2.21	0.55	1.15	1.52	0.79
Dihomo-gamma-linolenic acid	ME515214	0.41	1.54	1.03	1.85	0.63	1.28	1.49	0.65
4-Nitroaniline	ME515157	0.29	2.09	0.45	2.07	0.75	0.84	0.18	1.40
gamma-Glu-gln	ME515234	0.44	1.41	0.28	2.49	1.22	0.40	0.35	1.12
glu-ser	ME515237	0.44	1.41	0.29	2.49	1.22	0.40	0.35	1.12
S-Lactoylglutathione	ME515308	0.13	1.61	0.79	2.40	0.89	1.61	0.34	0.61
3-Thiomorpholinecarboxylic acid	ME515153	0.39	0.50	1.03	2.30	1.11	1.01	0.41	1.03
5-Hexyl-2-oxotetrahydro-3-furancarboxylic acid	ME515160	0.57	1.10	0.94	1.59	0.80	1.43	0.98	0.89
N-(tert-Butoxycarbonyl)-L-leucine	ME515276	0.55	1.04	0.90	1.51	0.79	1.36	1.10	0.99
D-(+)-Tryptophan	ME515208	0.82	1.04	0.98	1.79	0.77	1.38	0.77	0.86
L-Phenylalanine	ME515265	0.91	0.99	1.03	1.73	0.69	1.75	0.71	0.73
Acetyl-β-methylcholine	ME515182	0.76	1.43	0.62	1.87	0.85	1.36	0.33	0.95
phosphoethanolamine	ME515294	0.83	1.43	0.64	1.76	0.73	1.84	0.45	0.75
Cytidine	ME515205	0.64	1.30	0.89	2.64	0.69	1.03	0.84	0.74
2-Amino-6-({4,5-dihydroxy-3-oxo-6-[(phosphonooxy)methyl]tetrahydro-2H-pyran-2-yl}amino)hexanoic acid	ME515143	0.59	1.59	1.00	2.31	0.61	1.37	0.69	0.68
Phenylglyoxylic acid	ME515292	0.45	1.44	1.04	2.29	0.66	1.28	0.90	0.71
L-(+)-Leucine	ME515256	0.87	1.25	1.03	2.00	0.56	1.85	0.67	0.60
L-(-)-Asparagine	ME515257	0.68	1.15	0.82	2.30	0.66	1.82	0.54	0.65
2-Methylthiazolidine	ME515146	0.82	0.93	1.02	2.31	0.55	1.84	0.71	0.64
L-(-)-Methionine	ME515258	0.82	1.04	1.04	2.21	0.58	1.73	0.70	0.67
DL-Arginine	ME515218	0.52	0.95	0.79	2.53	0.77	1.40	0.67	0.81
Hexose	ME515244	0.63	1.30	0.90	2.32	0.70	1.40	0.67	0.72
5-Aminonorleucine	ME515159	0.59	1.22	0.92	2.47	0.69	1.43	0.62	0.71
L-(-)-Threonine	ME515260	0.60	1.28	0.95	2.42	0.69	1.44	0.64	0.67
oxazolidinone	ME515288	0.60	1.28	0.95	2.42	0.69	1.44	0.64	0.67
240I539PWQ	ME515149	0.69	1.21	0.82	2.39	0.73	1.35	0.66	0.75
benzoquinone	ME515193	0.64	1.31	0.81	2.31	0.80	1.28	0.68	0.69
3,4-Diaminopyridine	ME515150	0.51	1.06	0.87	2.19	0.87	1.36	0.57	0.84
L-Valine	ME515269	0.66	1.20	0.78	2.08	0.80	1.43	0.49	0.87
N.pi.-Methyl-L-histidine	ME515282	0.73	1.00	0.85	2.11	0.79	1.41	0.52	0.90
Acetanilide	ME515179	0.76	1.03	0.88	2.29	0.75	1.51	0.70	0.67
2,3-Octadiene-5,7-diyn-1-ol	ME515138	0.74	1.01	0.86	2.26	0.74	1.48	0.69	0.75
L-Tyrosine	ME515268	0.79	1.01	0.88	2.28	0.72	1.48	0.69	0.72
L-Histidine	ME515263	0.67	1.11	0.91	2.27	0.82	1.38	0.62	0.71
Penamecillin	ME515290	0.64	1.07	0.88	2.23	0.77	1.37	0.72	0.79
Furaltadone	ME515229	0.69	1.17	0.96	2.03	0.81	1.44	0.63	0.72
Uracil	ME515318	0.81	1.00	0.91	2.01	0.81	1.50	0.61	0.75
3-Methylsulfolene	ME515152	1.05	0.91	1.01	2.29	0.57	1.49	0.69	0.78
Cytosine	ME515206	0.95	1.17	0.89	2.22	0.69	1.26	0.87	0.69
Propionylcarnitine	ME515300	0.47	1.25	0.67	1.41	1.07	0.97	0.55	1.25
8-hydroxy-deoxyguanosine	ME515167	0.70	1.08	0.65	1.23	1.14	1.01	0.53	1.21
Guanine	ME515242	0.70	1.03	0.62	1.23	1.16	1.03	0.51	1.23
Inosine	ME515250	0.59	1.13	0.73	1.37	1.09	1.12	0.56	1.12
Methylphosphonic acid	ME515271	0.63	1.16	0.78	1.34	1.11	1.09	0.54	1.06
Glycerol 3-phosphate	ME515241	0.85	0.96	0.49	1.65	0.99	1.23	0.46	1.16
gaboxadol	ME515232	0.59	1.03	0.46	1.93	1.15	0.93	0.41	1.15
Nicotinamide	ME515284	0.53	0.82	0.59	1.81	1.20	0.94	0.42	1.19
Glutaric acid	ME515238	0.63	1.09	0.73	1.72	1.02	1.00	0.52	1.13
Dihydrothymine	ME515215	0.72	0.98	0.73	1.70	1.12	1.05	0.55	0.97
Creatine	ME515201	0.63	0.87	0.63	1.75	1.12	1.08	0.44	1.12
Hypoxanthine	ME515249	0.64	0.91	0.70	1.76	1.08	1.12	0.51	1.05
Acetyl-L-carnitine	ME515181	0.60	1.06	0.63	1.51	1.19	0.93	0.38	1.20
1-Pyridiniumylacetate	ME515135	0.67	1.09	0.64	1.53	1.11	1.12	0.36	1.13
g-Butyrobetaine	ME515230	0.63	0.97	0.62	1.60	1.12	1.06	0.43	1.17
5,15-Dihydroxy-14-methoxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1~18,27~.0~1,5~.0~2,24~.0~8,17~.0~9,14~.0~21,26~]nonacos-11-ene-4,10,22,29-tetrone	ME515158	0.41	0.99	0.60	1.71	1.17	1.06	0.49	1.14
g-Guanidinobutyrate	ME515231	0.56	1.14	0.58	1.69	1.13	1.09	0.42	1.07
.alpha.-Aminoadipic acid	ME515131	0.82	0.96	1.02	1.57	0.95	1.14	0.62	0.97
cystathionine	ME515203	0.75	1.19	0.72	1.48	0.98	1.38	0.48	0.96
Pregabalin	ME515299	0.89	1.31	0.75	1.43	1.04	1.32	0.34	0.88
3-Methoxytyramine	ME515151	0.59	1.11	0.72	1.53	0.91	1.39	0.67	1.05
(-)-threo-isodihomocitric acid	ME515125	0.60	1.32	0.79	1.36	0.86	1.50	0.53	1.05
ENU	ME515226	0.62	1.42	1.06	1.86	0.92	1.24	0.56	0.69
L-(-)-Serine	ME515259	0.93	0.93	0.79	2.19	0.88	0.90	0.77	0.93
Xanthine	ME515322	0.76	0.71	1.01	2.13	0.97	1.32	0.48	0.78
Deoxyuridine monophosphate	ME515213	1.04	0.86	0.79	2.00	0.98	1.19	0.31	0.90
Nudifloramide	ME515285	0.75	0.79	0.85	1.83	0.99	1.26	0.40	1.03
Daminozide	ME515210	0.63	1.01	0.69	1.82	1.11	1.30	0.36	0.90
trimethadione	ME515317	0.62	1.00	0.68	1.93	1.09	1.28	0.36	0.89
Hexanal	ME515243	0.44	1.03	0.54	1.88	1.30	1.13	0.52	0.81
Phosphoric acid	ME515295	0.48	0.75	0.67	2.16	1.08	1.03	0.41	1.15
Piracetam	ME515296	0.56	1.04	0.74	2.15	1.00	0.84	0.42	1.14
L-Pyroglutamic acid	ME515266	0.52	0.82	0.76	2.22	0.97	0.98	0.58	1.10
monomethyl phosphate	ME515275	0.58	0.98	0.72	2.19	0.92	1.03	0.51	1.10
L-Theanine	ME515267	0.65	1.32	0.64	2.27	0.89	1.08	0.58	0.87
1-Nitropyrene	ME515133	0.43	1.22	0.81	2.40	0.92	1.05	0.58	0.85
Butyryl-L-homoserine lactone	ME515196	0.51	1.23	0.71	2.44	0.87	0.96	0.60	0.96
2-methylbutyrylcarnitine	ME515145	0.48	1.24	0.79	1.92	0.94	0.96	0.88	0.95
4-Mercapto-5-methyl-3(2H)-thiophenone	ME515156	0.49	1.37	0.65	1.82	0.93	1.16	0.69	0.98
Raltitrexed	ME515305	0.64	1.39	0.69	1.92	1.01	1.06	0.58	0.84
MFCD00025555	ME515272	0.78	1.11	0.90	2.09	0.89	1.24	0.55	0.78
L-alpha-Glycerylphosphorylcholine	ME515261	0.70	1.27	0.76	2.16	0.89	1.27	0.53	0.75
N6-METHYLLYSINE	ME515283	0.70	1.25	0.82	2.06	0.87	1.18	0.59	0.85
Stachydrine	ME515310	0.68	1.22	0.80	2.04	0.89	1.20	0.58	0.85
(R)-3-hydroxybutyrylcarnitine	ME515130	0.57	1.08	0.84	1.96	0.89	1.19	0.69	0.94
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANONE	ME515154	0.72	1.22	0.84	1.85	0.96	1.22	0.58	0.81
Dimethyl trisulfide	ME515216	0.67	1.15	0.83	1.83	0.98	1.13	0.51	0.94
DL-Carnitine	ME515220	0.65	1.14	0.77	1.88	0.96	1.23	0.51	0.93
7-Dechlorogriseofulvin	ME515166	0.51	1.23	0.65	2.19	0.79	1.35	0.59	0.97
6,7,8,9-Tetrahydro-5-nitro-1H-benz[g]indole-2,3-dione 3-oxime	ME515162	0.49	1.28	0.71	2.07	0.91	1.15	0.65	0.91
beta-D-Glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranose	ME515194	0.40	1.28	0.63	2.24	0.93	1.08	0.69	0.92
(2E,2^E)-N,N^-1,4-Butanediylbis[3-(3,4-dihydroxyphenyl)acrylamide]	ME515127	0.44	1.26	0.66	2.15	0.93	1.19	0.61	0.90
Vitamin C	ME515321	0.45	1.23	0.63	2.22	0.92	1.14	0.62	0.94
Taurine	ME515311	0.54	1.06	0.75	2.07	0.93	1.20	0.58	0.95
Zalcitabine	ME515324	0.51	1.09	0.76	2.13	0.92	1.16	0.56	0.98
(2S)-2-Piperazinecarboxamide	ME515128	0.51	1.11	0.73	2.10	0.92	1.17	0.64	0.95
6-(2,4-Dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-5-hydroxy-4-methyl-3-cyclohexene-1-carboxylic acid	ME515164	0.50	1.09	0.69	2.06	0.98	1.19	0.62	0.92
Glu-Gly	ME515236	0.47	1.28	0.66	2.05	0.95	1.28	0.43	0.94
Aralionine A	ME515188	0.38	1.20	0.63	2.03	0.96	1.27	0.59	0.96
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid	ME515142	0.45	1.17	0.64	1.99	0.98	1.25	0.56	0.96
N-Acetylglucosaminitol	ME515280	0.46	1.16	0.61	1.98	0.98	1.26	0.57	0.97
PYRIDOXAMINE	ME515302	0.46	1.14	0.65	2.04	0.99	1.18	0.54	0.98
Tiagabine	ME515314	0.43	1.11	0.70	2.00	0.96	1.23	0.60	0.98
20-Oxopregn-5-en-3-yl hydrogen sulfate	ME515148	0.42	1.28	0.65	2.04	0.93	1.22	0.57	0.96
ser-gln	ME515309	0.48	1.21	0.64	2.05	0.94	1.24	0.59	0.94
clobetasone	ME515199	0.46	1.26	0.66	2.02	0.93	1.26	0.59	0.92
(E)-p-coumaric acid	ME515129	0.46	1.26	0.66	2.02	0.93	1.26	0.59	0.92
2-morpholinoacetic acid	ME515147	0.46	1.19	0.66	2.13	0.92	1.23	0.59	0.94
Homo-L-arginine	ME515247	0.48	1.16	0.70	2.10	0.93	1.21	0.54	0.97
Argininosuccinic acid	ME515190	0.40	0.97	0.65	1.96	1.03	1.26	0.67	0.96
fenamiphos	ME515228	0.52	1.13	0.71	1.85	1.05	1.11	0.56	0.97
THREONIC ACID, L-	ME515313	0.48	0.96	0.67	1.77	1.15	1.20	0.55	0.95
6-methyltetrahydropterin	ME515165	0.60	1.00	0.55	2.19	1.01	1.18	0.50	0.94
N-Methylanthranilamide	ME515281	0.53	0.94	0.62	2.04	1.02	1.24	0.53	0.98
Benzo(a)pyrene-9,10-diol	ME515192	0.56	1.00	0.74	2.02	0.99	1.10	0.41	1.09
pyriminobac	ME515304	0.52	1.04	0.77	2.02	1.01	1.11	0.44	1.02
Choline	ME515198	0.48	0.91	0.73	1.99	1.06	0.99	0.58	1.09
D-(+)-Proline	ME515207	0.57	0.88	0.63	1.98	1.07	1.05	0.57	1.05
AC-THR-OH	ME515178	0.61	1.11	0.69	2.25	1.01	1.16	0.36	0.87
DL-Glutamine	ME515223	0.63	0.93	0.70	2.17	0.96	1.13	0.65	0.92
carnosine	ME515197	0.69	1.02	0.83	2.21	0.83	1.14	0.64	0.94
N-Acetyl-L-histidine	ME515279	0.69	0.94	0.77	2.16	0.88	1.20	0.59	0.96
Cysteine-glutathione disulfide	ME515204	0.48	1.11	1.16	1.52	1.28	0.76	0.52	0.89
L-Palmitoylcarnitine	ME515264	0.32	1.25	0.53	1.24	1.38	0.95	0.71	1.00
Gly-Ser	ME515240	0.48	0.73	0.36	1.09	1.23	1.41	0.91	1.13
2-Furoic acid	ME515144	0.73	0.94	0.97	0.96	0.98	1.31	0.81	1.12
L-gamma-Glutamyl-L-leucine	ME515262	0.86	1.23	0.73	0.80	1.10	1.09	0.60	1.20
Dinitrosopentamethylenetetramine	ME515217	0.09	1.15	0.26	1.11	1.25	0.63	0.20	2.01
Phosphocreatine	ME515293	0.30	0.25	0.52	1.37	1.38	1.39	0.34	1.33
Creatinine	ME515202	0.53	0.80	0.47	1.42	0.97	0.94	0.42	1.76
5-Methylcytosine	ME515161	0.63	0.67	0.56	0.90	1.45	0.82	0.36	1.46
acryloylglycine	ME515184	0.57	0.65	0.66	1.35	1.34	0.76	0.45	1.37
Acetylcarnitine	ME515183	0.46	0.94	0.63	1.44	1.35	0.83	0.38	1.22
DL-Glutamic acid	ME515222	0.49	0.79	0.52	1.50	1.32	0.90	0.34	1.33
Itaconic acid	ME515252	0.49	0.80	0.53	1.53	1.30	0.91	0.35	1.31
6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one	ME515163	0.44	0.84	0.35	1.18	1.41	0.89	0.34	1.46
DL-Aspartic acid	ME515219	0.49	0.64	0.32	1.39	1.39	0.87	0.24	1.53
S-[(1Z)-N-Hydroxy-5-(methylsulfanyl)pentanimidoyl]cysteine	ME515307	0.49	0.63	0.32	1.39	1.38	0.89	0.24	1.52
Glu-Glu	ME515235	0.33	0.57	0.41	1.41	1.46	0.72	0.21	1.61
Maleamic acid	ME515270	0.49	0.68	0.35	1.51	1.42	0.64	0.25	1.53
2,3-Dihydroxypropyl stearate	ME515137	0.05	2.76	0.61	1.38	1.45	0.15	1.78	0.17
Oleoylethanolamide	ME515287	0.32	1.62	0.54	1.45	0.76	1.09	0.75	1.43
Inspra	ME515251	0.00	2.71	0.51	1.41	0.56	1.42	0.63	1.18
Militarinone A	ME515274	0.02	2.23	0.53	1.45	0.58	1.31	0.85	1.31
(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(cyclohexylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one	ME515126	0.09	3.64	0.33	0.91	0.75	1.43	0.70	0.71
[(4Z)-5-(Methylsulfanyl)-4-penten-2-yn-1-yl]benzene	ME515168	0.11	3.62	0.56	1.33	1.09	0.35	0.42	0.79
Hexylamine	ME515245	0.48	2.65	0.88	1.07	0.90	0.93	0.53	0.88
Octylamine	ME515286	0.45	3.45	0.91	0.82	0.80	0.83	0.53	0.81

Factors:

F1	Factor:ChR 1WPC NS
F2	Factor:ChR 1WPC PS
F3	Factor:ChR 2WPC NS
F4	Factor:ChR 2WPC PS
F5	Factor:ChR NC NS
F6	Factor:WT 1WPC NS
F7	Factor:WT 2WPC NS
F8	Factor:WT NC NS

Data matrix