Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003561)

(Analysis AN005852)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
Fluoranthene	ME927358	0.43	1.09	1.83	0.23	1.04	1.87	0.21	0.46	1.99	0.57	0.43	1.85
Pyrene	ME927357	0.45	1.06	1.61	0.32	0.68	2.00	0.30	0.55	2.00	0.69	0.39	1.92
Isomethyl ionone	ME927369	0.53	0.76	0.71	0.65	0.86	1.06	0.80	0.86	0.71	0.74	2.00	2.32
Phenol, pentachloro-B	ME927374	0.66	0.73	0.65	0.69	0.75	0.76	0.74	0.82	0.58	0.91	2.11	2.59
Caffeine	ME927368	0.74	1.77	1.74	0.78	0.99	0.99	0.85	0.74	0.74	1.59	0.64	0.47
Phenol, pentachloro-	ME927373	0.78	0.81	0.88	0.79	0.88	0.95	1.05	1.04	0.83	1.11	1.40	1.48
Dimethyl benzyl carbinyl acetate	ME927385	0.93	0.90	0.84	1.06	0.81	1.11	0.83	0.64	1.14	0.79	1.10	1.85
p,p^-DDE	ME927355	0.68	0.85	1.04	0.61	0.83	1.43	1.06	0.77	1.12	0.73	1.16	1.70
o-Hydroxybiphenyl	ME927354	0.93	0.88	0.85	1.25	1.03	1.09	1.22	1.25	1.18	1.05	0.43	0.86
alpha-Pinene	ME927381	1.01	1.25	0.96	1.14	1.18	1.02	1.22	1.31	1.08	1.06	0.28	0.50
Anethole	ME927366	0.81	1.12	0.73	1.14	1.06	1.19	1.09	1.31	1.10	1.41	0.37	0.69
trans-Amylcinnamic alcohol	ME927387	0.84	1.06	0.77	1.16	1.16	1.15	1.12	1.34	1.05	1.45	0.32	0.59
Triphenyl phosphate	ME927359	1.56	0.88	0.94	0.93	0.92	1.03	0.95	0.86	0.84	0.99	0.92	1.17
Coumarin	ME927383	1.20	0.89	1.55	0.92	0.91	1.25	0.93	0.90	0.89	0.86	0.87	0.84
Salicylaldehyde	ME927375	0.89	0.92	1.24	0.86	0.87	1.41	0.73	0.99	1.19	0.91	1.01	0.97
Bis(2-ethylhexyl) phthalate	ME927360	1.07	1.36	1.15	0.90	1.00	0.96	0.82	0.83	0.97	1.41	0.75	0.80
(Z)-Cinnamaldehyde	ME927379	0.63	0.98	0.96	0.76	1.06	1.00	1.11	1.06	1.06	1.06	1.31	0.99
XMC(3,5-xylyl methylcarbamate)	ME927365	0.63	1.08	1.04	0.79	1.19	1.00	1.24	1.21	1.10	1.04	0.89	0.80
Pyracarbolid	ME927364	0.61	1.12	0.94	0.74	1.19	1.02	1.02	1.27	1.12	1.02	1.00	0.96
Tolualdehyde	ME927377	0.69	0.88	0.97	0.82	1.12	1.09	1.06	1.22	1.05	1.03	1.07	0.98
Squalene	ME927376	0.84	1.55	0.94	0.82	1.22	0.91	1.19	0.85	1.19	0.83	0.82	0.82
Anise alcohol	ME927367	1.07	1.41	1.03	0.90	1.16	1.00	0.97	1.10	1.11	0.72	0.76	0.77
Propylidene phthalide	ME927356	0.80	1.13	1.11	0.96	1.13	1.09	1.09	1.07	1.02	1.06	0.75	0.78
Flamprop-isopropyl	ME927363	0.79	1.28	1.10	0.96	1.15	1.04	1.04	1.04	0.99	0.98	0.89	0.73
Phenol	ME927370	0.89	1.19	1.09	0.88	1.17	1.12	1.05	1.02	1.01	0.97	0.86	0.76
Phenol, 2,4-dimethyl-	ME927371	0.92	1.22	1.06	0.91	1.10	1.09	1.14	1.07	1.03	0.94	0.82	0.71
Carbofuran	ME927361	0.78	1.13	1.11	1.11	0.97	1.00	1.02	0.80	1.12	0.77	1.04	1.14
Phenol, 3-methyl-	ME927372	0.84	1.22	0.96	1.08	0.96	0.80	1.19	1.08	0.90	0.90	1.09	0.98
1H-Indol-3-ylmethyl acetate	ME927380	0.99	1.44	0.85	1.04	0.94	0.89	0.94	1.00	1.04	0.94	0.94	1.01
Dibutyl phthalate	ME927362	0.92	1.27	0.94	0.90	1.01	0.96	1.04	0.98	1.07	0.87	0.93	1.10
beta-Caryophyllene	ME927378	0.97	1.05	0.98	1.00	1.12	0.96	0.93	1.07	0.91	1.06	1.06	0.89
Dibutyl succinate	ME927384	0.80	1.11	0.83	0.93	1.05	0.95	0.93	1.23	1.00	1.00	1.04	1.13
Ethiolate	ME927386	0.83	1.15	0.94	0.89	0.96	1.00	0.92	1.22	1.23	0.87	1.01	0.97
2-Isopropoxyphenol	ME927353	1.04	0.85	1.15	0.92	1.27	1.08	0.77	0.99	1.11	0.70	0.90	1.20
Amyl salicylate	ME927382	0.79	0.62	1.08	1.10	1.06	0.85	1.04	1.07	1.23	0.81	1.08	1.25

Factors:

F1	Sample.x (Timepoint):A \| Group:Crohns disease
F2	Sample.x (Timepoint):A \| Group:Healthy controls
F3	Sample.x (Timepoint):A \| Group:Ulcerative colitis
F4	Sample.x (Timepoint):B \| Group:Crohns disease
F5	Sample.x (Timepoint):B \| Group:Healthy controls
F6	Sample.x (Timepoint):B \| Group:Ulcerative colitis
F7	Sample.x (Timepoint):C \| Group:Crohns disease
F8	Sample.x (Timepoint):C \| Group:Healthy controls
F9	Sample.x (Timepoint):C \| Group:Ulcerative colitis
F10	Sample.x (Timepoint):D \| Group:Crohns disease
F11	Sample.x (Timepoint):D \| Group:Healthy controls
F12	Sample.x (Timepoint):D \| Group:Ulcerative colitis

Data matrix