Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Longitudinal Metabolomics of the Human Microbiome in Inflammatory Bowel Disease (Study ST000923)

C18 NEGATIVE ION MODE (Analysis AN001515)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
13-cis-retinoic acid	ME233301	0.08	0.08	0.07	0.07	0.04	10.20
olmesartan	ME233284	4.33	0.14	0.10	0.06	0.07	0.05
furosemide	ME233282	2.49	0.01	0.00	NA	NA	NA
dodecanedioate	ME233226	2.56	0.37	0.61	1.01	0.55	0.59
tauro-alpha-muricholate/tauro-beta-muricholate	ME233272	2.42	1.18	0.46	0.07	0.39	0.31
glycoursodeoxycholate	ME233266	2.58	0.70	0.60	0.19	0.84	0.28
taurohyodeoxycholate/tauroursodeoxycholate	ME233271	3.10	0.49	0.52	0.10	0.67	0.23
1.2.3.4-tetrahydro-beta-carboline-1.3-dicarboxylate	ME233285	0.81	0.64	0.44	1.26	1.03	2.59
2-hydroxyibuprofen	ME233279	1.25	0.21	1.21	1.91	0.29	2.82
hydrochlorothiazide	ME233281	0.00	0.00	NA	NA	1.67	0.44
carboxyibuprofen	ME233280	1.59	0.18	2.17	1.34	0.62	1.01
glycochenodeoxycholate	ME233264	1.04	2.12	0.41	0.33	0.37	0.47
glycocholate	ME233267	0.79	2.37	0.32	0.28	0.39	0.43
crustecdysone	ME233291	1.39	0.70	0.61	0.10	1.87	1.50
salicylate	ME233274	0.65	1.05	0.38	0.58	1.63	1.79
taurocholate	ME233273	0.85	1.90	0.89	0.17	0.75	0.48
taurochenodeoxycholate	ME233269	0.99	1.82	0.58	0.23	0.77	0.64
chenodeoxycholate	ME233257	0.90	1.70	0.67	0.52	0.70	0.78
cholate	ME233262	0.86	1.73	0.62	0.38	0.79	0.89
ketodeoxycholate	ME233260	0.99	1.66	0.80	0.17	0.68	1.08
alpha-muricholate	ME233261	1.09	1.56	0.82	0.34	0.72	0.82
myristoleate	ME233224	0.99	1.39	0.95	0.51	0.84	0.90
palmitoylethanolamide	ME233293	0.91	1.53	1.04	0.41	0.82	0.78
p-hydroxyphenylacetate	ME233295	1.26	1.28	0.74	0.33	0.74	1.30
taurolithocholate	ME233268	1.03	1.40	0.61	0.54	0.74	1.35
adrenate	ME233251	1.07	1.40	0.41	0.34	1.04	1.25
arachidonate	ME233243	0.87	1.38	0.34	0.39	1.32	1.24
eicosatrienoate	ME233244	1.15	1.43	0.61	0.38	0.93	0.89
docosapentaenoate	ME233250	1.19	1.31	0.46	0.49	1.11	0.82
eicosadienoate	ME233245	1.06	1.29	0.48	0.43	1.28	0.94
eicosapentaenoate	ME233242	0.48	1.37	0.15	0.54	2.10	0.76
saccharin	ME233276	1.02	1.50	0.11	0.26	1.46	0.83
docosahexaenoate	ME233249	0.75	1.22	0.24	0.53	1.75	1.13
4-hydroxystyrene	ME233286	1.04	1.12	0.44	0.40	1.59	1.00
phenyllactate	ME233294	1.02	1.14	0.42	0.37	1.66	0.95
13-docosenoate	ME233252	0.95	1.01	0.59	0.93	1.50	0.76
17-methylstearate	ME233241	0.95	1.27	0.80	0.52	1.34	0.65
nervonic acid	ME233298	0.77	1.16	0.81	0.54	1.46	1.10
masilinate	ME233255	1.18	0.43	0.67	1.16	1.53	1.46
carnosol	ME233289	0.74	0.97	0.89	1.59	1.18	0.62
carnosol_isomer	ME233290	0.66	0.99	1.10	1.61	1.02	0.53
2-hydroxyoctanoate	ME233217	1.36	0.69	0.85	1.24	1.14	0.69
theophylline	ME233275	1.29	0.65	1.22	1.24	0.97	0.47
glycolithocholate	ME233263	1.17	0.88	1.24	1.52	0.62	0.63
undecanedionate	ME233223	1.04	0.76	0.92	1.49	1.16	0.74
tetradecanedioate	ME233231	1.04	0.86	1.21	1.21	0.94	0.88
hexadecanedioate	ME233238	1.05	0.81	1.11	1.35	0.96	0.90
oleanate	ME233254	1.04	0.89	1.01	1.38	0.92	0.81
eicosanedioate	ME233253	1.03	0.72	1.28	1.53	0.91	0.81
hydroxymyristate	ME233228	1.01	0.80	1.24	1.38	1.03	0.70
dodecanoate	ME233222	0.95	0.74	0.97	1.45	1.04	1.20
oxypurinol	ME233292	0.95	1.01	0.79	1.29	0.87	1.17
sebacate	ME233278	1.13	1.02	0.73	1.29	0.74	1.03
12.13-diHOME	ME233211	0.80	1.30	0.90	0.91	0.70	1.35
alpha-linolenate	ME233234	0.89	1.24	0.61	0.89	0.95	1.25
10-heptadecenoate	ME233232	1.16	0.81	0.62	1.16	1.01	1.38
acetytyrosine	ME233287	1.04	0.94	0.80	0.93	0.94	1.52
arachidate	ME233247	0.82	0.91	0.97	0.98	1.10	1.54
porphobilinogen	ME233296	1.15	1.12	1.04	1.10	0.76	0.42
9.10-diHOME	ME233212	0.81	1.47	0.97	0.86	0.65	0.91
alpha-CEHC	ME233288	0.81	1.41	1.07	0.83	0.78	0.79
3-hydroxyoctanoate	ME233218	1.16	0.97	1.22	0.75	0.90	0.99
mandelate	ME233216	1.03	0.90	1.34	0.73	1.05	1.10
linoleate	ME233235	1.09	1.01	0.83	1.05	0.94	1.01
oleate	ME233236	1.12	0.94	0.94	0.97	1.03	0.96
myristate	ME233225	0.98	1.03	0.98	1.06	1.00	0.88
deoxycholate	ME233258	1.07	0.97	0.93	1.10	1.01	0.87
lithocholate	ME233256	1.10	0.95	1.01	1.07	0.98	0.86
2-hydroxyhexadecanoate	ME233233	1.11	0.90	1.15	1.01	1.07	0.73
pentadecanoate	ME233227	0.97	0.85	1.22	1.04	1.21	0.81
hyodeoxycholate/ursodeoxycholate	ME233259	1.19	1.06	1.10	0.73	0.99	0.67
phytanate	ME233248	1.17	1.20	0.89	0.81	0.82	0.76
nonadecanoate	ME233240	1.01	1.03	1.01	0.75	1.19	0.91
3-hydroxydecanoate	ME233221	0.94	1.10	0.84	0.77	1.14	1.08
palmitoleate	ME233229	1.09	1.12	0.84	0.72	1.06	0.92
palmitate	ME233230	1.02	1.17	0.88	0.78	0.98	0.96
stearate	ME233237	1.04	1.10	0.94	0.75	1.04	0.96
10-nonadecenoate	ME233239	1.07	1.24	0.64	0.70	1.10	0.82
eicosenoate	ME233246	0.97	1.16	0.71	0.90	1.14	0.83
acesulfame	ME233299	1.83	0.77	0.21	0.35	1.13	1.34
glycodeoxycholate	ME233265	1.47	0.85	0.55	1.08	0.87	1.03
indoleacetate	ME233220	1.51	0.89	0.90	0.75	0.56	1.41
taurodeoxycholate	ME233270	1.61	0.90	0.62	0.58	0.87	1.20
cetrizine	ME233283	0.57	1.54	0.86	1.85	0.09	0.72
caproate	ME233213	0.89	0.45	1.28	1.86	1.36	0.42
heptanoate	ME233214	1.50	0.37	1.22	1.47	0.94	0.16
hydrocinnamate	ME233215	1.61	0.44	0.79	1.87	0.68	0.88
caprate	ME233219	0.82	0.87	0.94	2.39	0.70	0.45
urobilin	ME233297	0.89	0.67	1.26	2.60	0.48	0.50
azelate	ME233277	0.98	0.69	0.88	1.90	0.91	0.98
oxymetazoline	ME233300	0.68	0.74	1.38	2.07	0.67	0.86

Factors:

F1	Diagnosis:CD \| sex:Female
F2	Diagnosis:CD \| sex:Male
F3	Diagnosis:nonIBD \| sex:Female
F4	Diagnosis:nonIBD \| sex:Male
F5	Diagnosis:UC \| sex:Female
F6	Diagnosis:UC \| sex:Male

Data matrix