Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003778)

HILIC NEGATIVE ION MODE (Analysis AN006206)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid	ME997550	NA	1.29	1.23	1.03	0.65	0.81
2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid	ME997553	NA	0.82	0.48	1.14	1.41	1.24
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid	ME997712	0.01	0.76	0.98	1.03	1.06	1.29
3-hydroxy-2-methyl-2-[(sulfooxy)methyl]propanoic acid	ME997524	NA	0.77	1.20	1.45	0.80	1.04
Asp/Lys/Thr/Thr/Thr	ME997759	NA	1.27	1.51	0.94	0.66	0.58
Dictyoquinazol A	ME997610	NA	0.84	1.14	1.03	0.99	1.02
Diethyl tartrate	ME997615	0.00	1.50	0.92	1.12	0.90	0.93
2-Hydroxy-6-ketononatrienedioate	ME997680	NA	1.34	1.20	1.07	0.72	0.71
2,6-dideoxy-2-acetamidino--L-galactose_1	ME997523	NA	0.40	1.12	1.06	1.18	1.28
But-1-ene-1,2,4-tricarboxylate	ME997740	0.03	1.00	0.95	1.19	1.06	1.01
2-oxopropane sulfonate	ME997522	0.02	1.02	1.01	1.20	1.12	1.16
Adenosine monophosphate	ME997744	NA	0.56	1.40	1.20	1.39	0.57
Cathinone	ME997547	NA	1.35	1.15	1.07	0.72	0.76
2^-hydroxypyridoxol	ME997635	0.01	1.16	0.83	1.13	1.14	1.32
Aromadendrin	ME997687	NA	0.84	0.30	0.95	1.43	1.25
Ascorbalamic acid	ME997611	NA	0.52	1.35	1.05	0.70	1.41
Allamandin	ME997620	NA	1.35	0.88	0.93	0.98	0.82
4-Hydroxyphthalate	ME997761	0.03	0.72	1.07	1.14	1.04	1.21
4-methylmorpholine N-oxide	ME997641	0.01	1.04	1.69	1.20	0.81	0.88
Alanyl-Proline	ME997750	NA	0.83	1.12	1.03	0.74	1.31
Ala/Ala/Ala/Ser	ME997760	0.00	0.53	1.91	1.19	1.04	0.64
3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one_1	ME997619	0.01	1.69	1.26	1.17	0.65	0.73
2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid_1	ME997514	NA	0.85	0.96	1.18	1.00	1.12
Alanine	ME997491	0.02	0.68	1.18	1.19	1.07	1.49
3-(3,4-Dihydroxyphenyl)lactic acid	ME997667	0.01	1.17	1.21	1.09	0.97	1.01
3-(3,4-Dihydroxyphenyl)lactic acid_1	ME997655	0.03	0.57	0.83	1.17	1.50	1.41
2-Hydroxyhepta-2,4-dienedioate	ME997660	0.01	0.81	0.42	1.16	1.61	1.40
2-oxosuberate	ME997607	0.04	1.20	1.02	1.22	1.13	1.04
2-Hydroxyethanesulfonate	ME997494	0.00	0.77	0.14	1.37	1.57	1.58
2-Hydroxyglutaric acid	ME997495	0.00	1.05	1.14	1.10	1.16	1.11
7,8-Dihydro-7,8-dihydroxykynurenate	ME997674	NA	1.00	0.92	1.04	0.93	1.13
6-(4-carboxy-2-hydroxy-6-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	ME997596	NA	0.36	1.13	1.14	1.31	1.14
6-deoxy-6-sulfo-D-glucono-1,5-lactone	ME997521	NA	0.98	1.21	1.15	0.83	0.93
5-methylbenzimidazole ribotide phosphate	ME997627	NA	0.78	1.02	1.22	1.08	1.03
6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole	ME997580	NA	0.74	1.02	1.08	1.03	1.17
Acesulfame	ME997549	NA	0.80	1.13	1.06	0.81	1.23
5-(2^-Carboxyethyl)-4,6-dihydroxypicolinate	ME997679	NA	0.71	0.68	1.06	1.33	1.27
6-Hydroxyindolelactate	ME997616	0.00	0.91	0.51	1.12	1.64	1.29
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate	ME997625	0.00	1.00	1.00	1.08	1.25	1.12
2,6-Dihydroxynicotinate	ME997731	0.05	1.09	1.04	1.18	1.25	0.93
1b-Hydroxycholic acid	ME997730	NA	1.53	0.92	0.89	0.83	0.76
2-(2-Phenylacetoxy)propionylglycine	ME997622	NA	1.20	1.09	1.00	0.81	0.89
5-formyl-3-hydroxy-2-methylpyidine-4-carboxylate	ME997564	0.01	0.81	0.66	1.11	1.51	1.37
11,14,17-Eicosatrienoic acid	ME997726	0.00	0.87	0.84	1.11	1.49	1.15
2-Hydroxy-2,4-pentadienoate	ME997673	0.01	1.52	1.01	1.24	0.99	0.87
2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate	ME997657	NA	1.49	1.30	1.27	0.57	0.54
Cyclodopa glucoside	ME997517	NA	0.76	1.04	1.24	1.05	1.06
3,5-Dihydroxyanthranilate	ME997520	0.08	0.84	0.57	1.34	1.46	1.09
3-(1-Formyl-1-propenyl)pentanedioic acid	ME997637	0.00	1.46	1.07	1.11	1.00	0.83
3-(2,3-dihydroxyphenyl)propanoic acid	ME997672	0.01	0.79	1.10	0.94	1.29	1.25
3-amino-2,3-dideoxy-scyllo-inosose	ME997597	0.01	0.75	0.79	1.17	1.10	1.68
3,4-Dihydroxyphenylacetaldehyde	ME997665	0.03	0.75	1.78	1.12	0.82	1.09
beta-Alanopine	ME997643	0.00	0.93	0.92	1.14	1.19	1.30
bhos_20	ME997621	NA	0.99	0.85	0.95	1.08	1.10
2-methyl-3-(sulfooxy)propanoic acid	ME997626	NA	0.67	1.59	1.06	0.73	0.99
2-methyl-3-(sulfooxy)propanoic acid_1	ME997518	NA	0.94	1.02	1.10	1.13	0.87
Deoxyadenosine monophosphate	ME997509	NA	0.58	0.75	1.24	1.26	1.32
D-galactopyranosyl trimethylammonium bromide	ME997568	NA	0.83	1.16	0.99	1.22	0.80
Cystathionine ketimine	ME997590	NA	0.76	1.24	0.98	0.97	1.04
Cysteinosuccinic acid	ME997604	NA	0.07	3.46	1.33	0.13	0.20
dihomomethionine	ME997561	NA	0.59	0.26	0.98	1.60	1.43
ATPA	ME997589	0.01	1.16	1.08	1.11	0.87	1.15
Cholesterol sulfate	ME997725	NA	0.97	0.98	1.04	1.06	0.97
(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid	ME997640	NA	0.89	0.92	1.12	1.00	1.14
cis-(homo)3aconitate	ME997734	0.01	1.27	1.15	1.16	1.01	1.00
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	ME997732	NA	0.88	0.97	1.13	0.94	1.16
3-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate	ME997593	NA	1.27	1.08	1.12	0.80	0.80
3,4-Dehydrothiomorpholine-3-carboxylate	ME997617	NA	0.60	0.90	1.13	0.90	1.55
3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one	ME997632	0.01	1.55	1.43	1.08	0.65	0.73
Dihydroferulic acid 4-sulfate	ME997609	NA	0.41	0.71	1.08	1.38	1.46
9-Hydroxy-4-methoxypsoralen 9-glucoside	ME997633	NA	1.45	1.42	0.98	0.58	0.56
2-amino-5-methyl-muconate semialdehyde	ME997762	0.08	0.83	1.09	1.36	1.10	1.29
2-aminogalactopyranose	ME997583	0.01	1.30	1.09	1.08	0.66	1.01
Cucurbitacin F	ME997646	NA	0.65	1.12	0.99	1.29	0.95
2,6-dideoxy-2-acetamidino--L-galactose_2	ME997587	NA	0.87	1.31	1.06	0.47	1.33
Asn/Pro/Ser	ME997751	NA	0.73	1.40	1.10	1.16	0.67
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one	ME997603	0.02	1.38	0.75	1.15	1.14	1.16
Ascorbate	ME997695	0.01	0.95	1.04	1.75	0.92	0.99
2-methyl-3-(sulfooxy)propanoic acid_2	ME997527	NA	0.94	0.89	1.16	1.01	1.10
2-(1,3-dioxoisoindolin-2-yl)ethanesulfonate	ME997529	NA	0.76	1.00	1.19	0.99	1.18
2-(1-Methylpropyl)-4,6-dinitrophenol	ME997579	0.01	1.09	1.56	1.05	0.58	0.84
4-O-beta-D-Glucosyl-4-hydroxycinnamate	ME997601	NA	1.30	1.19	0.91	0.84	0.71
5,12-dihydroperoxy-6,8,10,14-eicosatetraenoic acid	ME997713	NA	1.04	1.11	0.94	0.88	0.99
Aminohydroquinone	ME997559	0.04	1.15	1.10	1.23	1.03	1.11
daunosamine	ME997530	NA	0.68	0.61	0.93	1.40	1.34
4-methylmorpholine N-oxide_1	ME997639	0.01	0.81	1.68	1.18	0.67	1.27
2,3,4,5-Tetrahydroxypentanoic acid	ME997703	0.00	0.82	1.61	1.40	1.02	0.89
Chlorogenic acid	ME997685	NA	1.22	1.30	1.16	0.67	0.74
Antiarol	ME997595	0.01	1.09	0.85	1.17	1.08	1.31
Citric acid	ME997502	0.00	0.37	1.72	1.37	1.21	1.05
dehypoxanthine futalosine	ME997591	NA	1.21	1.07	0.96	0.90	0.84
3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate	ME997736	0.00	0.89	0.94	1.06	1.21	1.34
ascr#11	ME997598	0.13	0.70	1.80	0.97	0.84	1.11
3,5/4-Trihydroxycyclohexa-1,2-dione	ME997690	0.02	1.09	1.02	1.21	1.16	1.14
Azelaic acid	ME997513	0.02	1.11	0.83	1.16	1.11	1.38
1-Nitrohexane	ME997649	0.01	0.74	1.52	1.20	0.73	1.42
6-Hydroxynicotinic acid	ME997738	0.01	0.93	0.54	1.17	1.56	1.39
24-methylene-cholest-5-en-3beta-ol-3-sulfate	ME997717	NA	0.77	0.95	0.99	1.18	1.10
2,6-dideoxy-2-acetamidino--L-galactose	ME997628	NA	0.83	1.39	1.06	0.50	1.26
2-[(sulfooxy)methyl]butanoic acid	ME997638	NA	0.92	0.95	1.14	0.97	1.11
3-sulfopropanoate_1	ME997531	NA	0.93	0.72	1.35	0.96	1.25
(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid	ME997538	NA	0.94	0.92	1.14	1.03	1.06
4-Hydroxybutyric acid	ME997700	0.09	0.36	0.39	1.30	1.27	2.32
3,3^-Thiobispropanoic acid	ME997602	NA	0.70	0.54	1.04	1.44	1.31
Adenine	ME997508	0.03	1.41	0.86	1.13	0.67	1.41
1-Methylxanthine	ME997686	NA	0.74	1.04	0.98	0.68	1.64
Adenosine	ME997743	NA	0.87	0.97	1.22	1.23	0.83
3-Hydroxysebacic acid	ME997716	0.00	0.97	1.30	1.05	0.72	1.08
5-Dehydro-4-deoxy-D-glucarate	ME997698	0.00	0.66	0.65	1.22	1.51	1.29
2,3-dihydro-3-hydroxy-anthranilate	ME997581	NA	1.46	1.10	1.22	0.56	0.80
2-Hydroxystearic acid	ME997709	0.00	0.73	1.38	1.10	1.10	1.15
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one	ME997722	NA	0.84	1.03	1.08	0.83	1.27
1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol	ME997582	NA	0.99	0.86	1.07	1.16	0.96
2^-hydroxypyridoxol_1	ME997612	0.01	1.07	0.99	1.11	1.01	1.28
2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1- benzopyran-4-one	ME997642	NA	0.91	0.69	1.00	1.25	1.14
2,4,6/3,5-Pentahydroxycyclohexanone	ME997696	NA	0.75	1.00	0.97	1.00	1.26
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate	ME997739	0.00	1.27	1.32	0.97	0.74	0.78
3^-UMP	ME997742	NA	0.63	1.32	1.13	1.29	0.71
Ala/Asn/Pro	ME997754	NA	1.12	1.18	0.94	0.94	0.78
1-O-Galloylglycerol	ME997560	NA	1.15	1.11	1.11	0.88	0.81
4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside	ME997614	NA	0.82	0.51	0.88	1.24	1.48
3-sulfopropanoate	ME997539	NA	0.86	0.81	1.28	0.94	1.28
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate	ME997763	0.00	1.55	1.10	0.94	0.89	0.78
2,3,4-trihydroxy-butanoic acid	ME997503	0.00	1.08	0.68	1.21	1.32	1.04
2-Oxohept-3-enedioate	ME997675	0.01	1.15	0.77	1.10	1.20	1.14
2,3,6-Trihydroxypyridine	ME997733	0.01	0.92	1.23	1.08	1.09	1.12
2-O-Sulfolactate	ME997551	0.02	0.96	1.84	1.26	0.63	0.96
5-(2^-Formylethyl)-4,6-dihydroxypicolinate	ME997666	NA	0.94	0.87	1.04	1.11	1.07
5-Carboxy-2^-deoxyuridine	ME997548	NA	0.50	0.39	1.02	1.80	1.30
5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid	ME997570	NA	0.92	1.29	1.02	0.71	1.08
5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline	ME997652	0.00	0.79	1.03	1.11	1.19	1.36
3-Sulfonatolactate	ME997541	0.02	0.82	0.93	1.31	1.38	1.24
5-Methoxy-3-hydroxyanthranilate	ME997584	0.01	1.21	1.09	1.12	0.97	1.08
5-Thymidylic acid	ME997747	NA	0.49	0.64	1.25	1.30	1.47
5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid_1	ME997552	NA	0.22	0.95	1.44	1.16	1.49
5-Hydroxypentanoic acid	ME997721	0.02	0.83	0.69	1.26	1.53	1.34
5-Oxo-D-proline	ME997663	0.08	1.23	1.38	1.12	0.90	0.90

Factors:

F1	Sample source:Extraction solvent \| treatment:Extraction solvent
F2	Sample source:mice stool \| treatment:Non_responder_donor A
F3	Sample source:mice stool \| treatment:Non_responder_donor B
F4	Sample source:mice stool \| treatment:pooled QC
F5	Sample source:mice stool \| treatment:Responder_donor C
F6	Sample source:mice stool \| treatment:Responder_donor D

Data matrix