Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002998)

LC-MS NEGATIVE ION MODE (Analysis AN004924)

Metabolite	Structure	F1	F2	F3	F4
L-3-Phenyllactic acid	ME776089	0.20	0.03	2.42	0.71
9,10-DHOME	ME775981	0.17	0.05	2.64	1.14
9,10-epoxyoctadecanoic acid	ME776013	0.03	0.14	2.79	1.05
Mevalonic acid	ME775912	0.09	0.07	2.85	NA
Paeonoside	ME776037	NA	0.01	2.31	0.02
Bisdemethoxycurcumin	ME775999	0.03	0.04	3.83	0.10
3,4-Dihydroxyhydrocinnamic acid	ME776085	0.15	0.09	3.71	0.05
p-Cresol sulfate	ME776134	0.16	0.16	3.64	0.04
Xanthohumol	ME776023	0.21	0.21	3.44	0.14
L-Lactic acid	ME775910	0.46	0.14	3.30	0.10
(E)-3-(4-Hydroxyphenyl)-2-propenal	ME776060	0.37	0.10	3.40	0.14
Phenyllactic acid	ME775932	0.37	0.10	3.50	0.04
2-Ethyl-2-Hydroxybutyric acid	ME775899	0.81	0.08	3.04	0.07
3^-O-Methylguanosine	ME776044	0.40	0.30	2.94	0.36
Indolelactic acid	ME775933	0.40	0.04	3.12	0.44
Acetylcysteine	ME775961	3.75	0.12	0.04	0.08
Oxoadipic acid	ME776030	3.50	0.15	0.19	0.16
N-Acetyl-L-methionine	ME776078	2.55	1.06	0.33	0.06
p-Anisic acid	ME776075	2.57	1.03	0.13	0.27
Oxypurinol	ME775972	2.68	0.47	0.21	0.64
L-Cysteine	ME776034	2.81	0.16	0.01	0.04
Xylitol	ME775966	3.06	0.49	0.07	0.07
Glucose 6-phosphate	ME775890	2.42	0.11	1.39	0.08
L-dihydroorotate	ME776058	1.57	0.17	2.22	0.04
Benzoylformic acid	ME776056	0.06	3.59	0.16	0.19
3-Methyl-2-oxopentanoate	ME776011	0.12	3.72	0.12	0.04
Ascorbic acid	ME775920	0.09	3.85	0.03	0.03
3,7-Dimethyluric acid	ME776073	0.21	2.29	0.46	1.04
Formylanthranilic acid	ME775976	0.56	2.31	0.63	0.51
2-Oxovaleric acid	ME775941	0.26	2.29	0.81	0.64
(+)-Gallocatechin	ME776125	0.10	2.47	0.77	0.66
Cosmosiin	ME776029	0.04	2.53	NA	0.11
3,3^,4^5-Tetrahydroxystilbene	ME776090	0.49	3.12	0.08	0.32
D-Gluconic acid	ME776053	0.46	2.69	0.31	0.54
Deoxyuridine	ME776083	0.23	0.53	0.14	3.10
7-Methylguanosine	ME776110	0.09	0.16	0.21	3.54
Hydrocortisone	ME776027	0.03	0.22	0.14	3.61
D-Xylose	ME775987	0.05	0.97	0.36	2.61
D-Fructose	ME775927	0.07	1.29	0.16	2.48
Dide-O-methylsimmondsin	ME776071	0.07	1.46	0.09	2.38
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one	ME775971	0.28	1.59	0.18	1.94
Cucurbitacin B	ME776033	0.16	0.93	NA	1.92
Mulberrofuran A	ME776061	1.44	2.25	0.22	0.10
H-PHE-PRO-OH	ME776051	1.44	1.93	0.04	0.60
Isomaltose	ME776054	1.51	2.09	0.03	0.36
Epsilon-(gamma-Glutamyl)-lysine	ME776062	1.36	2.13	0.25	0.27
(-)-Epigallocatechin	ME776077	1.45	1.95	0.21	0.39
Orotate	ME775923	1.33	2.01	0.23	0.43
3-Methyluridine	ME776105	1.06	2.28	0.19	0.47
Capric acid	ME776102	1.01	2.21	0.40	0.39
Carnosol	ME776128	1.07	1.87	0.06	0.69
Indole-3-butyric acid	ME776065	0.96	1.93	0.41	0.70
Indoleacetaldehyde	ME775909	1.25	1.76	0.46	0.52
Trehalose	ME776002	1.15	1.97	0.44	0.44
Hexamethylquercetagetin	ME776132	1.35	1.61	0.01	1.03
5-Hydroxy-L-tryptophan	ME775935	1.44	1.64	0.34	0.58
Succinylacetone	ME775936	1.60	1.47	0.33	0.60
Glutamylthreonine	ME776045	1.62	1.70	0.08	0.60
H-THR-PHE-OH	ME775974	1.71	1.68	0.01	0.60
Cyclic guanosine monophosphate	ME776059	1.59	1.58	0.18	0.65
2,4-Dihydroxybenzoic acid	ME776006	1.48	1.62	0.16	0.74
Alantolactone	ME776047	1.44	1.66	0.11	0.78
Prostaglandin D2	ME775963	1.72	1.96	0.14	0.19
D-Glucaric acid	ME775922	1.58	2.09	0.15	0.18
Glucaric acid	ME775948	1.62	2.04	0.19	0.16
Stachyose	ME776072	1.82	1.83	0.25	0.11
2-(Methylamino)benzoic acid	ME775968	1.92	1.82	0.14	0.12
Adipic acid	ME776133	1.86	1.91	0.11	0.13
Raffinose	ME776091	1.91	1.90	0.11	0.08
O-Desmethylnaproxen	ME776070	2.00	1.58	0.09	0.33
beta-Hydroxypyruvic acid	ME775893	1.64	1.57	0.51	0.28
4-Pyridoxic acid	ME775926	1.76	1.58	0.35	0.31
Succinic acid	ME775931	1.67	1.62	0.41	0.31
D-Tryptophan	ME776118	1.83	1.69	0.19	0.28
Indoxyl sulfate	ME775964	1.68	1.72	0.26	0.33
N-Acetyl-5-hydroxytryptamine	ME776088	1.66	1.76	0.16	0.41
Maltopentaose	ME776067	1.40	1.49	0.12	0.09
N-Formyl-L-methionine	ME775942	1.65	1.48	0.53	0.01
Enalaprilat	ME776112	1.18	1.15	NA	0.01
O-Acetylserine	ME776094	1.18	0.73	NA	NA
Ketoleucine	ME776020	1.38	0.73	0.89	NA
4-Acetylbutyrate	ME776135	1.17	0.96	0.61	NA
Hippuric acid	ME775943	1.23	0.99	0.36	NA
L-Rhamnose	ME776049	1.70	1.20	0.72	0.39
Shikimic acid	ME776035	1.89	1.10	0.75	0.26
2-Hydroxy-2-methylbutyric acid	ME776038	2.24	0.55	0.64	0.57
2-Hydroxybutyric acid	ME775900	1.79	0.67	0.87	0.68
Guanine	ME775911	1.95	0.49	NA	0.56
Benzoic acid	ME776012	1.98	0.94	0.33	0.75
Diaminopimelic acid	ME776082	1.97	1.35	0.02	0.67
L-Erythrulose	ME776008	1.71	0.21	0.87	1.21
Mesylate	ME775919	1.16	0.72	0.93	1.18
Phenylacetylglycine	ME776093	1.12	0.64	1.11	1.12
2-Furoylglycine	ME776127	1.29	0.66	1.04	1.01
L-Isoleucine	ME776097	1.20	0.69	1.04	1.07
Cortisone	ME776087	0.87	0.81	1.09	1.22
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid	ME776122	0.93	0.86	1.10	1.11
Maleamic acid	ME775978	0.97	0.92	1.05	1.10
Glutamylglutamic acid	ME776009	0.94	1.06	1.01	0.99
Hydantoin-5-propionic acid	ME775979	0.97	1.08	1.02	0.93
beta-Alanine	ME776081	1.10	1.02	0.88	1.01
Thymidine	ME776117	1.05	1.00	0.95	1.00
Cytidine monophosphate	ME775960	1.06	0.90	0.97	1.07
Uridine 5^-monophosphate	ME776084	1.02	0.91	0.98	1.09
Hydrogen phosphate	ME775886	0.98	1.01	0.96	1.06
Tiglylglycine	ME776129	1.00	0.96	1.00	1.03
Oxoglutaric acid	ME775924	0.96	1.05	1.22	0.77
Alpha-Hydroxyisobutyric acid	ME776025	1.15	0.75	1.29	0.82
Kynurenic acid	ME775953	0.96	0.84	1.28	0.92
Stearic acid	ME776099	0.93	0.87	1.20	1.00
Marmesin	ME776022	0.95	0.69	1.42	0.95
Isocitric acid	ME775998	0.98	0.68	1.25	1.10
N-Acetyl-L-phenylalanine	ME775950	0.96	0.61	1.30	1.13
Erythrulose	ME775929	0.79	0.90	0.99	1.32
D-Ribose	ME775970	0.80	0.75	0.84	1.61
Paliperidone	ME776064	0.80	0.85	0.86	1.49
L-Fucose	ME776101	0.89	1.04	0.57	1.50
Gingerol	ME775954	0.99	1.16	0.66	1.18
N-Acetyl-L-alanine	ME775894	0.94	1.04	0.76	1.26
o-Methoxyphenyl sulfate	ME776007	1.45	1.41	0.71	0.43
Cristacarpin	ME776014	1.25	1.29	0.51	0.62
D-Erythrose 4-phosphate	ME775940	1.29	1.42	0.62	0.67
Fructose-1P	ME776046	1.25	1.53	0.55	0.67
CyclicAMP/cAMP	ME775951	1.40	1.55	0.53	0.52
Cyclic GMP	ME775992	1.41	1.41	0.60	0.59
Cytidine 2^,3^-cyclic phosphate	ME775903	1.37	1.47	0.57	0.59
D-Arabinose	ME776019	1.42	0.87	0.69	1.01
Methylsuccinic acid	ME775904	1.32	0.84	0.85	0.98
Caproic acid	ME776031	1.39	1.21	0.67	0.73
L-Leucine	ME775991	1.46	1.29	0.60	0.65
trans-Cinnamic acid	ME775997	1.48	1.22	0.65	0.65
N-Acetylglutamine	ME776028	1.45	1.12	0.51	0.93
1-deoxy-1-(N6-lysino)-D-fructose	ME775907	1.36	1.11	0.62	0.91
(R)-Kawain	ME776074	1.44	1.09	0.66	0.81
Hypoxanthine	ME775895	1.10	1.32	0.57	1.01
Palmitic acid	ME776095	1.14	1.37	0.54	0.95
4-Aminohippuric acid	ME776092	1.22	1.18	0.64	0.96
4-Dodecylbenzenesulfonic Acid	ME775946	1.27	1.29	0.56	0.88
Citramalic acid	ME775937	1.09	1.30	0.82	0.79
Salicin	ME776113	1.10	1.27	0.86	0.77
o-Cresol	ME776057	1.25	1.30	0.72	0.73
Propionic acid	ME776126	1.20	1.30	0.74	0.77
Methylmalonic acid	ME775939	1.22	1.23	0.80	0.76
N-Acetylornithine	ME776042	1.22	1.19	0.80	0.79
N-Acetyl-glucosamine 1-phosphate	ME775928	1.25	1.24	0.82	0.69
N-Acetylvaline	ME775921	1.22	1.27	0.80	0.71
Pyrophosphate	ME775945	1.13	1.13	0.80	0.94
cis,cis-Muconic acid	ME775884	1.03	1.13	0.89	0.94
N-Acetylglutamic acid	ME775930	1.05	1.19	0.86	0.90
(R)-lipoic acid	ME775965	1.08	1.19	0.81	0.91
allo-inositol	ME776104	1.18	1.16	0.82	0.84
Estrone-3-glucuronide	ME775949	1.21	1.11	0.84	0.84
L-Arginine	ME775925	1.24	1.14	0.83	0.80
Beta-Tyrosine	ME776124	1.33	1.03	0.77	0.87
L-Glutamic acid	ME775901	1.32	1.02	0.84	0.82
Pyrrolidonecarboxylic acid	ME776026	1.26	1.04	0.82	0.87
D-Alanyl-D-alanine	ME775962	1.57	0.93	0.01	0.83
Isovitexin	ME775959	1.43	1.33	0.13	1.12
Glutaric acid	ME775956	1.34	1.23	0.30	1.13
L-Asparagine	ME775983	1.39	1.30	0.31	1.01
Cholesterol sulfate	ME775977	1.20	1.06	0.25	1.24
(R)-3-Hydroxybutyric acid	ME775889	1.46	1.06	0.29	1.20
D-Xylitol	ME775994	0.77	1.43	0.08	0.95
Alanylglycine	ME775957	0.52	1.59	0.49	1.40
Isonicotinic acid	ME775918	0.89	1.57	0.65	0.90
L-Arabitol	ME776121	0.63	1.77	0.66	0.95
N2-gamma-Glutamylglutamine	ME776055	0.46	1.84	0.66	1.04
Citraconic acid	ME775969	0.20	1.24	1.43	1.12
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol	ME776119	0.33	1.22	1.11	1.34
D-Pantothenic acid	ME775990	0.55	1.11	1.06	1.27
L-Malic acid	ME775952	0.89	1.59	1.02	0.49
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid	ME776107	0.67	1.42	1.09	0.83
L-Serine	ME775897	0.56	1.40	1.11	0.93
13S-hydroxyoctadecadienoic acid	ME776114	0.10	0.45	2.23	1.22
Allopurinol-1-ribonucleoside	ME775885	0.03	1.04	1.95	0.98
Uracil	ME775917	0.19	0.88	1.59	1.35
2-Keto-3-deoxy-D-gluconic acid	ME775916	0.19	0.71	1.82	1.28
Uridine	ME775902	0.03	0.78	1.82	1.37
Oxytetracycline	ME776004	0.00	0.03	1.46	2.17
Taurine	ME775914	0.05	0.06	1.74	2.14
Oxobutanedioic acid	ME775985	0.16	0.18	1.68	1.98
Salicyluric acid	ME775995	0.16	0.31	1.67	1.85
2^,6^-Dihydroxy-4^-methoxyacetophenone	ME776130	0.31	0.18	1.70	1.80
4-Nitrocatechol	ME776043	0.26	0.17	1.85	1.72
2-Methylhippuric acid	ME776003	0.17	0.22	1.77	1.85
L-2-Hydroxyglutaric acid	ME776116	0.15	0.26	1.84	1.75
Quinic acid	ME776001	0.08	0.07	1.95	1.90
Linoleic acid	ME776069	0.06	0.16	2.10	1.68
Mandelic acid	ME776123	0.04	0.22	1.97	1.76
N-Acetylglycine	ME775892	0.96	0.30	1.42	1.08
7-Methylguanine	ME776039	0.85	0.43	1.32	1.41
Oxidized glutathione	ME776066	0.81	0.29	1.42	1.47
Scopolin	ME776050	0.06	0.50	1.29	1.52
4-Acetamidobutanoic acid	ME775980	0.39	0.53	1.40	1.67
N-Formyl-L-aspartate	ME776036	0.46	0.51	1.36	1.67
2-Pyridylacetic acid	ME776115	0.47	0.49	1.44	1.60
Succinic acid semialdehyde	ME775906	0.44	0.47	1.50	1.60
Gentisaldehyde	ME776086	0.53	0.47	1.41	1.60
trans-Aconitic acid	ME775984	0.52	0.40	1.45	1.63
Citric acid	ME775898	0.53	0.47	1.49	1.51
N-Acetyl-L-aspartic acid	ME776005	0.59	0.38	1.48	1.54
15-KETE	ME776068	0.29	0.37	1.36	1.99
3-Furoic acid	ME775908	0.35	0.35	1.57	1.73
Glyceric acid	ME776000	0.32	0.32	1.53	1.83
2-Acetylpyrrole	ME776109	0.24	0.45	1.67	1.38
gamma-Glutamylalanine	ME776041	0.22	0.43	1.71	1.65
7-Methylxanthine	ME776017	0.30	0.30	1.81	1.59
Dihydrolipoate	ME776015	0.31	0.38	1.82	1.49
But-2-enoic acid	ME776103	0.58	0.65	1.58	1.19
13-L-Hydroperoxylinoleic acid	ME776111	0.46	0.52	1.76	1.26
Astringin	ME776024	0.48	0.44	1.75	1.33
Pyrrole-2-carboxylic acid	ME775891	0.53	0.62	1.17	1.68
Succinic anhydride	ME775982	0.43	0.70	1.13	1.74
2-Methylguanosine	ME776106	0.54	0.50	1.01	1.95
L-Sorbose	ME776048	0.67	0.67	0.90	1.77
Bergapten	ME776063	0.32	0.82	1.36	1.50
D-Glutamic acid	ME776079	0.73	0.63	1.15	1.50
D-Xylulose	ME776032	0.69	0.74	1.29	1.29
2-Furoic acid	ME776108	0.53	0.77	1.38	1.32
Itaconic acid	ME775896	0.60	0.75	1.34	1.32
L-Allothreonine	ME776100	0.81	0.57	0.49	1.67
Cortodoxone	ME776052	0.43	0.80	0.56	2.20
Quinolinic acid	ME776098	0.66	0.64	0.58	2.12
(-)-Epicatechingallate	ME775967	NA	0.17	0.80	1.76
Gluconolactone	ME776018	0.15	0.37	0.69	2.79
Threonic acid	ME775944	0.29	0.39	0.91	2.40
3-Hydroxymethylglutaric acid	ME775938	0.22	0.40	0.77	2.61
D-Glucuronic acid	ME776021	0.13	0.44	0.87	2.55
Biotin	ME776076	0.49	0.08	1.41	2.02
L-Gulonolactone	ME776016	0.26	0.24	1.13	2.37
Cytidine	ME775934	0.19	0.66	1.19	1.96
2-Ketobutyric acid	ME775988	0.21	0.49	1.16	2.14
Dihydroxyacetone (dimer)	ME776120	0.19	0.48	1.19	2.14
3-Hydroxyisovaleric acid	ME776080	0.13	NA	1.29	NA
Leucinic acid	ME776040	NA	NA	1.70	0.30
Rotenone	ME776010	NA	0.26	1.77	0.17
L-Malic acid	ME775913	0.50	0.91	1.87	0.72
Pelargonic acid	ME776096	0.56	1.01	1.57	0.86
Trehalose 6-phosphate	ME775958	0.77	0.75	1.51	0.97
Glyceraldehyde	ME775989	0.90	0.58	1.64	0.88
Isobutyrylglycine	ME775975	0.88	0.59	1.57	0.96
Glycolic acid	ME775996	0.78	0.63	1.61	0.97
N-methyl-L-glutamic Acid	ME776131	0.74	0.68	1.69	0.90
L-Aspartic acid	ME775905	0.97	0.65	1.80	0.58
D-Lactic acid	ME775955	0.75	0.82	1.63	0.80
D-Malic acid	ME775986	0.86	0.95	1.55	0.64
Maleic acid	ME775888	0.88	0.92	1.54	0.66
Acetylleucine	ME775915	0.82	0.80	1.75	0.63
N-Acetyl-L-tyrosine	ME775993	0.83	0.89	1.68	0.60
Pyruvic acid	ME775883	0.57	0.87	2.20	0.35
2-Hydroxy-3-methylbutyric acid	ME775887	0.73	0.24	2.55	0.48
N-Acetylserine	ME775947	0.62	0.47	2.35	0.56
Pseudouridine	ME775973	0.65	0.56	2.20	0.60

Factors:

F1	Treatment:FP
F2	Treatment:FP_medium
F3	Treatment:LGG
F4	Treatment:LGG_medium

Data matrix