Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for A library of human gut bacterial isolates paired with longitudinal multiomics data enables mechanistic microbiome research (Study ST001192)

Reversed phase NEGATIVE ION MODE (Analysis AN001986)

Metabolite	Structure	F1	F2	F3
crustecdysone	ME283145	0.42	0.36	4.10
carboxyibuprofen	ME283139	0.43	1.17	1.74
13-HODE	ME283070	0.85	0.69	2.26
alpha-linolenate	ME283095	0.95	0.69	2.03
arachidonate	ME283104	0.91	0.81	1.76
palmitoleate	ME283088	0.92	0.77	1.87
eicosapentaenoate	ME283103	0.37	1.60	0.55
saccharin	ME283135	0.69	1.42	0.33
5_6 diHETE	ME283071	1.79	0.36	1.22
alpha-CEHC	ME283143	1.67	0.51	1.02
ketodeoxycholate	ME283121	1.74	0.63	0.53
alpha-muricholate	ME283122	1.62	0.71	0.55
glycoursodeoxycholate	ME283126	1.65	0.67	0.56
taurohyodeoxycholate/tauroursodeoxycholate	ME283131	1.51	0.77	0.39
cholate	ME283123	1.55	0.74	0.59
salicylate	ME283133	1.51	0.75	0.66
glycochenodeoxycholate	ME283124	1.53	0.79	0.49
taurocholate	ME283132	1.49	0.80	0.56
glycocholate	ME283127	1.41	0.89	0.45
taurochenodeoxycholate	ME283129	1.34	0.95	0.40
4-hydroxystyrene	ME283141	1.35	0.93	0.43
phenyllactate	ME283151	1.35	0.93	0.44
hyodeoxycholate/ursodeoxycholate	ME283120	1.37	0.82	0.75
chenodeoxycholate	ME283118	1.40	0.82	0.69
formylmethionine	ME283147	1.35	0.85	0.69
mandelate	ME283076	1.17	0.97	0.71
pentadecanoate	ME283086	1.19	0.94	0.76
dimethylurate	ME283146	1.28	0.89	0.73
oleanate	ME283115	1.24	0.94	0.67
3-hydroxydecanoate	ME283080	0.90	1.15	0.75
palmitoylethanolamide	ME283150	0.94	1.12	0.74
caprate	ME283078	1.01	1.08	0.74
masilinate	ME283116	1.02	1.06	0.77
dodecanedioate	ME283085	1.13	1.01	0.68
dodecanoate	ME283081	1.06	1.05	0.71
phytanate	ME283109	1.08	1.04	0.69
eicosanedioate	ME283114	1.07	1.03	0.75
heptanoate	ME283074	1.10	1.01	0.73
eicosatrienoate	ME283105	1.20	0.92	0.82
p-hydroxyphenylacetate	ME283152	1.19	0.90	0.87
2-hydroxyhexadecanoate	ME283093	1.13	0.92	0.95
2-hydroxyibuprofen	ME283138	1.21	0.93	0.99
deoxycholate	ME283119	1.12	0.90	1.06
glycodeoxycholate	ME283125	1.14	0.87	1.10
hydrocinnamate	ME283075	1.12	0.88	1.10
pregnenolone sulfate	ME283154	1.24	0.84	1.00
taurolithocholate	ME283128	1.23	0.83	1.07
theophylline	ME283134	1.24	0.80	1.07
eicosenoate	ME283107	0.95	0.97	1.21
myristoleate	ME283083	0.92	1.01	1.13
9_10-diHOME	ME283069	1.03	0.93	1.15
13-docosenoate	ME283113	1.01	0.98	1.04
arachidate	ME283108	1.00	0.98	1.05
palmitate	ME283089	0.99	0.98	1.09
stearate	ME283098	0.99	0.98	1.07
docosahexaenoate	ME283110	0.89	1.10	0.92
sebacate	ME283137	1.03	1.03	0.83
docosapentaenoate	ME283111	1.06	1.01	0.83
N-acetylalanine	ME283148	1.08	1.00	0.82
caproate	ME283073	1.04	1.01	0.88
17-Methylstearate	ME283102	1.05	1.01	0.86
myristate	ME283084	1.06	1.01	0.86
PGE2-d4	ME283067	1.00	1.00	0.99
heptadecanoate	ME283092	1.02	1.00	0.94
nonadecanoate	ME283101	0.99	1.02	0.96
hexadecanedioate	ME283099	1.01	1.00	0.96
tetradecanedioate	ME283090	1.00	1.01	0.96
undecanedionate	ME283082	1.00	1.04	0.90
azelate	ME283136	0.96	1.06	0.91
2-hydroxyoctanoate	ME283077	0.96	1.05	0.94
oxypurinol	ME283149	0.98	1.03	0.94
adrenate	ME283112	1.07	0.98	0.90
eicosadienoate	ME283106	1.05	0.99	0.93
levulinate	ME283072	1.05	0.97	0.96
lithocholate	ME283117	1.03	0.97	1.02
urobilin	ME283155	1.04	0.96	1.01
12_13-diHOME	ME283068	1.07	0.95	1.00
hydroxymyristate	ME283087	1.09	0.95	0.97
16:0 PC(O)	ME283140	0.72	1.15	1.19
carnosol	ME283144	1.16	0.78	1.32
taurodeoxycholate	ME283130	1.12	0.79	1.38
10-nonadecenoate	ME283100	0.86	0.96	1.42
gamma-linolenate	ME283094	0.82	1.00	1.40
oleate	ME283097	0.94	0.91	1.40
10-heptadecenoate	ME283091	0.89	0.96	1.35
indoleacetate	ME283079	0.93	0.94	1.33
acetytyrosine	ME283142	0.98	0.86	1.49
linoleate	ME283096	0.94	0.84	1.62
porphobilinogen	ME283153	0.88	0.89	1.60

Factors:

F1	Diet:-
F2	Diet:Omnivore
F3	Diet:Vegetarian

Data matrix