Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003931)

HILIC NEGATIVE ION MODE (Analysis AN006456)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
Cholic acid	ME1044207	0.16	0.05	0.01	0.01	5.43	1.27
Deoxycholic acid	ME1044206	0.03	0.01	0.00	0.00	4.55	2.38
3-(3-Hydroxyphenyl)propanoic acid	ME1044204	0.23	0.20	NA	NA	0.76	3.08
1-Methylxanthine	ME1044171	2.66	0.72	NA	NA	0.07	0.09
Taurdeoxycholic and or Taurochenodeoxycholic acid	ME1044209	2.04	0.47	1.78	0.68	0.44	0.17
Taurocholic acid	ME1044210	2.90	0.64	0.98	0.59	0.34	0.05
Xanthurenic acid	ME1044202	0.48	3.95	0.10	0.12	0.20	0.64
cis-Aconitic acid	ME1044191	0.52	3.80	0.42	0.48	0.11	0.09
Citric and or Isocitric acid	ME1044192	0.73	3.58	0.38	0.46	0.16	0.12
Hydroxybutyric and or Hydroxyisobutyric acid	ME1044158	1.53	1.79	0.40	0.65	0.57	0.82
Malonic acid	ME1044151	1.58	1.59	0.73	0.83	0.54	0.43
Erythronic and or Threonic acid	ME1044142	1.37	1.91	0.85	1.10	0.16	0.22
Vanillylmandelic acid	ME1044137	1.34	1.32	0.79	0.74	NA	0.46
Orotic acid	ME1044174	0.98	2.45	0.36	0.45	0.66	0.18
Indolelactic acid	ME1044196	1.47	1.86	NA	0.03	0.10	0.15
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid	ME1044157	2.19	2.16	0.15	0.15	0.36	0.48
2-Hydroxyvaleric and or 2-Hydroxyisovaleric acid	ME1044159	1.85	2.12	0.36	0.33	0.41	0.48
Glucosan	ME1044197	1.86	1.94	0.28	0.52	0.61	0.43
Threitol	ME1044193	1.88	2.33	0.14	0.17	0.03	0.04
Homovanillic acid	ME1044136	1.63	2.47	0.37	0.41	0.22	0.40
1-Methyluric acid	ME1044173	1.81	2.78	0.12	0.12	0.17	0.44
2-Hydroxycaproic and or 2-Hydroxyisocaproic acid	ME1044160	1.64	2.64	0.14	0.18	0.50	0.44
Guanosine	ME1044168	NA	NA	1.58	0.99	0.58	0.66
Inosine	ME1044167	0.04	0.05	1.83	1.64	1.55	1.25
Uric acid	ME1044172	0.35	1.23	1.82	1.71	0.45	0.31
Folic acid	ME1044198	0.84	1.32	1.78	1.54	0.13	0.09
Ribitol	ME1044145	1.04	1.09	1.79	1.69	0.05	0.03
Quinic acid	ME1044194	1.21	1.01	1.66	1.42	0.24	0.17
Succinyladenosine	ME1044169	0.99	0.84	1.52	1.50	0.04	0.02
Glucuronic acid	ME1044144	0.12	0.24	2.74	2.53	0.21	0.13
Sorbitol	ME1044146	0.23	0.23	2.88	2.53	0.02	0.01
N-Acetylcarnosine	ME1044185	0.58	0.30	1.71	2.17	0.70	0.68
Cytidine	ME1044176	0.40	0.33	2.25	1.50	0.91	0.62
Dihexose	ME1044138	0.35	0.32	2.42	2.10	0.43	0.35
Hexose	ME1044140	0.19	0.15	2.39	1.95	0.71	0.69
Nicotinic acid	ME1044199	1.81	1.15	0.05	0.05	2.13	0.80
Ketoisovaleric acid	ME1044149	1.38	1.17	0.23	0.32	2.27	0.70
Succinic acid	ME1044189	1.21	1.02	0.20	0.30	2.33	1.15
Hypoxanthine	ME1044165	1.42	0.59	0.32	0.24	2.83	0.83
Xanthine	ME1044170	1.00	0.50	0.79	0.71	2.33	0.91
Ketocaproic and or Ketoisocaproic acid	ME1044186	1.07	0.88	0.37	0.52	2.52	0.87
Uracil	ME1044179	1.01	0.66	0.61	0.55	2.53	0.88
Adenine	ME1044164	2.17	1.13	0.31	0.30	1.15	0.73
Fumaric and or Maleic acid	ME1044188	1.75	0.57	0.59	0.65	1.50	0.97
Malic acid	ME1044190	1.87	0.54	0.55	0.62	1.50	0.94
2-Aminobutyric acid	ME1044147	1.11	0.91	NA	NA	0.90	1.07
2-Isopropylmalic acid	ME1044162	1.34	1.78	0.19	0.57	1.16	0.86
Pantothenic acid	ME1044184	1.39	1.90	0.15	0.16	1.53	0.72
Pseudouridine	ME1044178	0.15	1.77	1.41	1.00	1.28	0.28
Sebacic acid	ME1044156	0.35	1.12	0.49	0.74	2.00	1.64
4-Hydroxymandelic acid	ME1044135	1.02	1.44	0.29	0.29	1.45	1.60
4-Pyridoxic acid	ME1044201	0.67	1.20	0.51	0.68	1.40	1.74
3-Methyladipic and or Pimelic acid	ME1044154	0.73	1.11	0.61	1.09	1.51	1.13
4-Hydroxybenzaldehyde	ME1044195	1.01	0.99	0.74	0.61	1.71	1.02
Glyceric acid	ME1044141	0.98	0.90	0.63	0.71	1.63	1.30
Suberic acid	ME1044155	0.81	0.91	0.73	0.91	1.52	1.31
Aspartic acid	ME1044181	1.14	0.53	1.07	0.72	1.47	1.17
Glutamic acid	ME1044182	1.07	0.60	1.10	0.74	1.70	0.87
Quinolinic acid	ME1044200	0.66	0.57	0.98	0.92	1.66	1.47
Xylose	ME1044139	0.60	0.54	1.33	1.02	1.53	1.15
Thymine	ME1044180	0.62	0.76	1.54	1.02	1.38	0.70
Uridine	ME1044177	0.45	0.46	1.70	1.41	1.06	1.06
3E-Methylglutaconic acid	ME1044152	0.77	1.54	0.98	1.29	0.68	0.64
Tartaric acid	ME1044143	0.93	0.74	1.23	1.68	0.43	1.02
Glycocholic acid	ME1044208	1.03	0.60	0.87	1.16	1.24	1.27
2-Hydroxyglutaric acid	ME1044161	0.66	1.15	0.85	1.27	0.98	1.21
Adipic and or Methylglutaric acid	ME1044153	0.86	1.20	0.86	1.30	0.94	0.86
Oxalic acid	ME1044150	0.85	1.00	0.83	1.28	1.13	1.02
Tetrahydroharman-3-carboxylic acid	ME1044132	0.98	0.87	1.26	0.93	0.96	0.97
Lactic acid	ME1044187	0.88	0.71	1.09	1.30	0.99	1.14
Thymine-d4 [iSTD]	ME1044129	0.92	0.76	1.19	1.40	0.86	0.91
Glycocholate-d4 [iSTD]	ME1044131	0.89	0.83	1.14	1.34	0.89	0.95
Inosine-15N4 [iSTD]	ME1044130	0.93	0.87	1.14	1.29	0.86	0.92
N-Acetylglutamic acid	ME1044183	0.69	0.84	0.17	0.15	3.72	0.87
Lithocholic acid	ME1044205	NA	0.00	NA	NA	1.41	0.92
4-Hydroxybenzeneacetonitrile	ME1044133	0.11	0.18	0.51	0.37	2.04	2.79
Gentisic acid	ME1044134	0.89	1.08	0.07	0.04	2.08	2.16
Isovaleric and or Valeric and or Methylbutyric acid	ME1044148	0.83	0.85	0.02	0.04	2.41	2.30
Bilirubin	ME1044203	0.58	0.36	0.19	0.04	3.07	1.70
dTMP	ME1044175	0.07	0.19	0.07	0.03	3.04	1.99
Butyric acid	ME1044163	0.41	0.40	0.10	0.13	2.13	2.04
Guanine	ME1044166	0.12	0.34	NA	NA	2.33	1.43

Factors:

F1	Sample source:Fecal Samples \| Type:Altered Schaedler Flora (ASF) \| Sex:Female
F2	Sample source:Fecal Samples \| Type:Altered Schaedler Flora (ASF) \| Sex:Male
F3	Sample source:Fecal Samples \| Type:germ-free (GF) \| Sex:Female
F4	Sample source:Fecal Samples \| Type:germ-free (GF) \| Sex:Male
F5	Sample source:Fecal Samples \| Type:specified-pathogen free (SPF) \| Sex:Female
F6	Sample source:Fecal Samples \| Type:specified-pathogen free (SPF) \| Sex:Male

Data matrix