Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Gut microbiome structure and metabolic activity in inflammatory bowel disease (Study ST001000)

Reversed phase NEGATIVE ION MODE (Analysis AN001880)

Metabolite	Structure	F1	F2	F3
13-docosenoate	ME272736	0.51	0.41	2.10
lysoPC(O-18:0)	ME272767	0.78	0.06	1.57
glycoursodeoxycholic acid	ME272761	1.92	0.08	0.46
taurochenodesoxycholic acid	ME272782	2.02	0.02	0.55
taurolithocholic acid	ME272785	1.70	0.33	0.64
ketodeoxycholate	ME272764	1.80	0.21	0.67
alpha-muricholate	ME272746	1.88	0.21	0.58
taurodeoxycholic acid	ME272783	1.87	0.27	0.63
cholate	ME272751	1.54	0.25	0.92
docosapentaenoic acid	ME272754	1.56	0.28	0.84
eicosatrienoic acid	ME272757	1.57	0.31	0.77
palmitoylethanolamide	ME272776	1.27	0.56	0.81
chenodeoxycholate	ME272750	1.31	0.38	0.83
p-hydroxyphenylacetate	ME272779	1.36	0.44	0.96
taurohyodeoxycholate/ tauroursodeoxycholate	ME272784	1.11	0.06	0.93
arachidonic acid	ME272747	1.15	0.29	1.35
eicosapentaenoic acid	ME272756	1.09	0.34	1.38
adrenic acid	ME272744	1.20	0.26	1.16
docosahexaenoic acid	ME272753	1.35	0.30	1.11
acesulfame	ME272742	1.28	1.10	0.50
9.10-diHOME	ME272741	1.03	1.22	0.81
myristic acid	ME272769	0.98	1.15	0.91
palmitic acid	ME272774	0.99	1.08	0.95
7-ketodeoxycholate	ME272740	0.76	1.27	0.96
oleic acid	ME272772	0.82	1.23	1.04
acetytyrosine	ME272743	0.95	1.34	0.81
linoleic acid	ME272765	0.89	1.26	0.94
carnosol	ME272749	0.80	1.33	0.86
deoxycholic acid	ME272752	0.87	1.34	0.89
lithocholic acid	ME272766	0.85	1.37	0.89
oxymetazoline	ME272773	0.65	1.13	1.01
stearic acid	ME272781	0.75	1.10	1.21
hexadecanedioic acid	ME272762	0.72	1.18	1.19
oleanolic acid	ME272771	0.71	1.14	1.21
PGE2-d4	ME272777	0.86	0.92	1.22
tetradecanedioate	ME272786	0.84	1.00	1.19
undecanedicarboxylic acid	ME272787	0.83	1.07	1.15
nervonic acid	ME272770	0.95	0.73	1.29
4-hydroxystyrene	ME272739	1.07	0.82	1.07
eicosenoate	ME272758	1.15	0.89	0.91
glycodeoxycholic acid	ME272759	1.13	0.88	0.98
12.13-diHOME	ME272735	1.10	0.87	0.98
phenyllactate	ME272778	1.09	0.89	0.99
glycolithocholic acid	ME272760	1.38	0.74	0.89
hyodeoxycholate/ursodeoxycholate	ME272763	1.18	1.00	0.80
palmitoleic acid	ME272775	1.32	0.87	0.69
alpha-linolenic acid	ME272745	0.40	2.19	0.80
urobilin	ME272789	0.21	2.10	0.71
maslinic acid	ME272768	0.89	1.59	0.62
undecanedionate	ME272788	0.55	1.80	0.90
azelate	ME272748	0.45	1.85	1.02
dodecanedioic acid	ME272755	0.48	1.76	1.04
sebacate	ME272780	0.50	1.68	1.08
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	ME272734	0.57	1.40	1.18
2-hydroxyhexadecanoate	ME272737	0.66	1.45	1.06
2-hydroxymyristic acid	ME272738	0.65	1.55	1.00

Factors:

F1	Diagnosis:CD
F2	Diagnosis:Control
F3	Diagnosis:UC

Data matrix