Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003700)

(Analysis AN006070)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
D-(+)-Glucosamine_2	ME966901	10.00	0.03	0.01	0.13	0.02	1.55
terrein	ME967060	0.07	NA	5.72	0.05	0.04	0.08
4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid	ME966847	0.17	NA	0.16	0.11	0.14	5.33
Urocanic acid	ME967072	0.37	0.27	0.45	0.50	0.28	4.12
S-Carboxymethylcysteine	ME967049	0.17	4.18	0.21	0.43	0.59	0.27
valeramide_4	ME967076	0.12	0.32	4.50	0.13	0.68	0.25
Meprobamate_2	ME966957	0.47	0.17	4.81	0.34	0.34	0.33
valeramide	ME967073	0.41	0.25	4.37	0.30	0.32	0.34
5-Methylcytosine	ME966850	0.27	NA	3.90	0.12	0.56	0.07
O-Succinylhomoserine	ME967024	0.26	0.50	3.90	0.27	0.47	0.60
N-Methylthreonine	ME967021	0.37	0.39	3.58	0.35	0.98	0.33
valeramide_2	ME967074	0.25	0.33	4.04	0.24	0.84	0.29
gelsemine	ME966918	0.25	0.02	3.27	0.00	NA	1.05
Panthenol	ME967026	0.26	0.63	3.28	NA	0.59	NA
1,1-Dimethyl-4-phenylpiperazinium	ME966801	0.07	0.11	3.44	0.16	0.46	0.39
L-Carnitine	ME966948	0.10	NA	3.16	0.01	0.15	0.16
Anabasine Hydrochloride	ME966867	NA	NA	2.00	0.00	0.00	NA
LID_265.1546_9.2	ME966949	0.16	1.07	1.82	0.81	0.07	NA
MMV676512	ME966984	1.81	0.38	1.88	0.75	0.32	0.86
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid	ME966825	1.27	0.34	1.95	0.73	0.83	0.63
Allantoin	ME966865	1.18	0.41	1.97	0.84	0.44	0.68
Pyridoxal_2	ME967043	1.30	0.15	1.84	0.69	0.45	0.71
1-Isothiocyanato-7-(methylsulfinyl)-heptane_3	ME966809	1.51	0.29	2.31	0.15	0.48	0.95
3-Acetylindole	ME966826	2.02	0.04	2.34	0.05	0.20	0.60
ilicic acid	ME966937	0.32	1.16	3.12	0.20	0.72	0.88
Koumine	ME966942	0.38	NA	2.19	0.19	0.63	0.92
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one	ME966791	0.91	0.30	2.77	1.06	0.62	0.43
Uracil	ME967068	0.90	0.13	2.59	0.68	0.59	0.76
3,4-Dihydrocoumarin	ME966823	0.63	0.38	2.57	0.80	0.49	0.99
Isoleucylglutamate	ME966940	0.87	0.40	2.48	0.64	0.59	1.01
N-Methylglutamic acid	ME967017	0.81	0.17	3.08	0.34	1.06	0.53
valeramide_3	ME967075	0.46	0.40	3.00	0.56	1.04	0.43
Djenkolic Acid	ME966907	0.36	0.21	3.11	0.66	0.39	0.53
NCGC00160221-01!1,2,3,4-Tetrahydro-6-Methoxy-1-oxo-beta-carboline	ME966993	0.57	0.34	3.18	0.47	0.52	0.91
Pesticide1_Dimethoate_C5H12NO3PS2_Phosphorodithioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester	ME967031	3.39	0.00	0.03	1.49	0.11	2.83
1-Isothiocyanato-7-(methylsulfinyl)-heptane_4	ME966810	1.10	NA	0.53	NA	NA	1.60
(3S,3^R)-3^-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2^-oxirane]-2,5-dione	ME966796	1.77	0.17	0.93	0.50	0.14	1.95
MLS001077357-01!6-ETHOXY-2-BENZOTHIAZOLESULFONAMIDE	ME966973	2.60	0.16	0.94	0.30	0.07	1.55
NCGC00384935-01!2,2-dimethyl-1,3-dihydroquinazolin-4-one	ME967007	2.56	0.02	1.13	0.05	0.04	0.87
Aniline	ME966869	2.68	0.05	0.31	0.44	0.20	2.41
Methylecgonine	ME966961	3.02	0.22	0.31	0.49	0.15	1.48
Meprobamate	ME966956	0.36	0.26	2.55	0.70	1.96	0.47
terrein_2	ME967061	0.14	0.03	1.78	0.41	2.89	0.13
14-deoxy-11,12-dihydroandrographolide	ME966804	0.61	0.36	1.21	NA	2.15	NA
N-Isovalerylglycine_2	ME967016	NA	0.36	1.11	0.47	2.30	0.53
Hexamethylene??bisacetamide	ME966931	0.09	0.20	0.18	1.88	2.24	0.93
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide	ME966788	0.73	0.57	0.20	1.14	2.76	0.30
Topiramate	ME967062	0.28	NA	0.42	1.54	2.96	0.40
Caffeoylcholine	ME966880	0.70	NA	0.12	0.16	2.90	0.36
Galactose	ME966916	0.46	0.83	0.96	0.13	2.59	1.02
3-Methylhistidine_2	ME966831	0.06	0.69	0.32	0.61	2.95	0.73
L-Tyrosine	ME966953	0.39	0.54	0.56	0.59	2.79	0.95
MMV687762	ME966985	0.43	1.07	0.29	0.60	2.89	0.69
N-Fructosyl isoleucine	ME967014	0.37	1.36	0.66	0.57	2.61	0.68
isofraxidin	ME966939	0.15	0.18	1.01	0.22	3.52	0.91
Meprobamate_3	ME966958	0.57	0.31	0.14	0.40	3.33	1.24
N-Methylisoleucine	ME967018	0.11	0.23	1.96	0.38	0.87	2.63
N-Acetylmuramic Acid	ME966992	1.15	0.92	0.51	0.88	0.47	3.30
1-Methylhistamine_2	ME966812	0.65	0.35	0.79	0.72	0.39	3.11
R-3-Amino-5-(methylthio)pentanoic acid	ME967046	0.53	0.38	0.27	0.69	0.71	3.30
Glutamylglycine	ME966922	0.88	0.16	1.09	0.52	0.83	2.52
Phosphonoacetic acid_2	ME967037	0.72	0.65	1.04	0.58	0.51	2.51
1-(2-hydroxy-3-methyl)-butyl-hydrocotarnine	ME966800	0.37	NA	0.86	1.32	0.28	2.36
2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one	ME966821	0.73	0.20	0.81	1.39	0.50	2.88
3-Methylhistidine	ME966830	0.15	1.54	1.42	0.73	0.16	2.45
NCGC00380226-01!3-methoxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]benzoic acid	ME966999	0.43	1.15	0.47	1.59	0.39	2.26
Mevalonic Acid Lactone_2	ME966963	0.34	2.64	0.31	0.24	2.13	0.34
1-Methylhistamine	ME966811	0.39	3.27	0.62	0.36	0.55	0.81
Acetylcitrulline	ME966860	0.07	2.77	0.59	0.75	0.48	1.32
Gliquidone	ME966920	NA	1.21	0.65	0.59	NA	1.06
MLS000028635-01!BRETYLIUM TOSYLATE	ME966964	0.08	1.44	0.50	0.81	0.15	1.47
Podofilox	ME967038	0.26	1.83	0.89	1.36	0.14	1.12
4-hydroxy-4-(pyridin-2-yl)butan-2-one	ME966842	0.46	1.93	0.95	0.70	0.50	1.46
N-Acetyl-Asp-Glu	ME966990	0.29	1.86	1.10	0.58	0.75	1.34
MLS001056774-01!S(?)-Pindolol	ME966970	0.39	1.73	0.84	0.12	1.48	1.17
4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid	ME966834	0.45	2.03	0.52	0.85	1.08	1.16
5-O-Methylgenistein	ME966852	0.53	1.84	0.59	0.93	1.04	1.07
Carbocysteine	ME966881	0.52	1.80	0.40	0.94	1.14	1.08
esculetin	ME966911	0.36	2.24	0.52	0.60	1.21	0.48
Villol	ME967077	0.36	2.42	0.31	0.73	0.82	0.79
[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate	ME966799	0.99	0.65	NA	0.31	1.98	0.15
Temazepam	ME967059	0.81	0.77	NA	0.63	1.82	0.11
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one	ME966814	1.64	0.45	NA	NA	1.26	NA
3-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyprop-2-enoic acid	ME966832	1.55	0.05	NA	0.16	1.68	0.20
C15H22N2O7S	ME966877	0.90	NA	NA	1.29	0.34	NA
suberosin	ME967054	1.07	0.06	0.14	1.83	1.44	0.06
MLS000575022-01!	ME966965	0.59	0.31	0.89	0.32	1.78	1.65
S-Lactoylglutathione	ME967050	0.54	0.57	0.65	0.54	1.81	1.40
NCGC00380424-01_C10H9NO4_1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-8-oxo-	ME967001	0.42	0.23	1.23	0.61	1.84	1.37
Uridine 5^-monophosphate	ME967070	0.39	0.10	0.99	0.98	1.78	1.58
Ozagrel	ME967025	0.35	0.33	0.40	1.10	2.12	1.29
2`-Methylacetanilide	ME966818	0.74	0.46	0.94	0.91	1.76	1.08
Isoleucylvaline	ME966941	0.91	0.76	0.69	0.94	1.92	0.78
MLS001201824-01!1-(6-Methoxy-benzothiazol-2-yl)-3-phenyl-urea	ME966975	0.76	0.66	0.56	1.06	2.06	0.73
Pantothenic acid	ME967027	0.57	0.73	0.38	0.98	2.14	1.10
Diphenylsulfoxide	ME966906	0.66	0.73	0.79	0.76	2.10	0.96
Glycylleucine	ME966925	0.73	0.82	0.56	0.63	2.21	1.04
4-Hydroxy-6-methyl-2-pyrone	ME966843	1.02	0.58	0.61	0.24	2.01	1.16
Muramic acid	ME966986	1.25	0.47	0.59	0.73	1.89	1.08
Phomalone	ME967035	1.02	0.25	0.47	0.97	2.02	1.16
Dihydrozeatin	ME966905	0.20	1.56	0.76	0.51	0.83	2.11
Perseitol	ME967029	0.33	1.20	0.67	0.64	1.03	2.42
4-aminovaleric acid betaine_2	ME966839	0.54	1.50	0.31	0.78	1.33	1.55
5,6-Dihydro-5-methyluracil	ME966848	0.71	0.95	0.46	0.97	1.26	1.66
Aconine	ME966861	0.40	1.06	0.39	0.90	1.66	1.63
Phloretin	ME967034	0.23	0.97	1.17	1.01	0.92	1.76
Pterine	ME967040	0.29	0.77	0.69	0.63	1.16	1.65
4-aminovaleric acid betaine	ME966838	0.53	1.25	0.72	0.66	1.14	1.70
Perseitol_2	ME967030	0.33	1.17	0.72	1.08	0.99	1.87
MLS001333179-01!N,N-Diethyl-3-methylbenzamide134-62-3	ME966976	0.40	0.60	0.63	1.47	1.11	1.98
Cytosine	ME966898	0.61	0.19	0.79	1.22	1.57	1.62
Pyridoxal	ME967042	0.81	0.36	0.71	1.30	1.32	1.50
D-(+)-Glucosamine hydrochloride	ME966902	0.66	0.59	0.57	0.35	1.37	2.37
PHENYLHYDRAZINE	ME967033	0.52	0.33	0.80	0.70	1.34	2.31
1-Benzylimidazole	ME966806	0.52	0.48	1.03	0.63	1.30	1.94
PYRIDOXINE	ME967044	0.54	0.62	0.89	0.48	1.38	2.10
3-hydroxy-1,2-dimethylpyridin-4(1H)-one	ME966828	1.07	0.22	0.84	0.56	1.16	1.96
1-Isothiocyanato-7-(methylsulfinyl)-heptane_2	ME966808	1.19	0.18	0.37	0.97	1.43	1.86
MLS001148453-01!	ME966974	1.13	0.37	0.55	0.89	1.28	1.77
COTININE	ME966888	0.39	0.63	1.81	1.67	0.80	0.69
N-Cyclohexylformamide_2	ME967012	0.89	0.22	1.57	1.42	1.16	0.73
Hypotaurine	ME966934	0.41	0.54	0.94	1.67	1.48	0.94
N8-Acetylspermidine	ME966989	0.81	0.39	0.67	2.18	1.04	0.91
7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one	ME966854	0.85	0.12	2.21	0.82	1.25	0.79
hydroquinidine	ME966933	0.70	0.80	1.50	0.95	1.54	0.51
Chrysanthemic Acid	ME966884	0.56	0.77	1.58	0.81	1.26	0.98
MLS002667916-01!	ME966982	0.60	0.95	1.74	0.70	1.07	0.94
NCGC00380284-01!N-(5-acetamidopentyl)acetamide	ME967000	0.74	0.84	1.66	0.83	1.04	0.90
Fenuron	ME966912	0.65	0.69	1.82	0.60	1.26	0.64
Nornicotine	ME967022	0.71	0.65	1.52	0.64	1.50	0.83
3a-hydroxy-3,5a,9-trimethyl-3,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-2,8-dione	ME966827	0.92	0.70	1.86	0.83	0.73	1.20
Cafestol	ME966878	0.75	0.53	1.96	0.72	1.08	0.95
Difucol Hexamethyl Ether	ME966904	0.95	0.52	1.85	0.68	1.05	0.94
7,8-dimethoxy-benzo[d][1,2]oxazin-1-one	ME966855	0.47	0.37	1.91	0.55	1.93	1.02
D-(+)-Glucosamine	ME966900	0.45	0.68	1.52	0.37	1.88	1.10
LPC 18	ME966951	0.40	0.93	1.56	0.43	1.68	1.00
2-AMINOPHENOL	ME966819	0.24	1.30	1.30	0.54	1.41	1.26
HUMULENE (alpha)	ME966932	0.17	0.99	1.73	0.21	1.09	1.06
Mevalonic Acid Lactone	ME966962	1.67	1.18	0.85	0.24	1.11	0.94
Proline betaine	ME967039	1.86	0.91	1.45	0.39	0.71	0.68
Caffeic Acid	ME966879	1.13	1.19	1.28	1.04	0.07	0.72
NCGC00380424-01_C10H9NO4_1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-8-oxo-_2	ME967002	0.93	1.32	1.55	1.17	0.74	0.64
D-(-)-quinic acid	ME966899	1.00	1.31	0.70	1.07	0.84	1.08
NCGC00381178-01!3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid	ME967005	0.87	1.46	0.82	0.90	0.96	0.99
Creatinine_2	ME966892	0.96	1.31	0.85	1.01	0.98	0.89
Creatinine_3	ME966893	0.81	1.35	0.88	1.04	1.00	0.92
Hypoxanthine	ME966935	0.79	1.07	0.73	1.10	1.21	1.09
Creatinine	ME966891	0.83	1.22	0.82	0.98	1.03	1.11
NCGC00347619-02!	ME966996	0.88	1.15	0.75	1.09	1.08	1.05
ADRENALINE BITARTRATE	ME966863	0.82	1.46	0.59	1.01	0.94	1.20
Fluconazole	ME966914	0.70	1.39	0.74	0.97	1.06	1.14
Phosphonoacetic acid	ME967036	0.72	1.29	0.74	1.10	1.00	1.15
alpha-Methylene-gamma-butyrolactone	ME966866	1.05	1.11	0.52	1.19	1.15	0.98
2,6-Dimethoxyquinone_3	ME966817	1.00	1.29	0.48	1.17	1.10	0.97
Maltol	ME966955	0.99	1.28	0.48	1.17	1.11	0.98
Glucose-1-phosphate	ME966921	0.97	1.06	0.68	1.13	1.28	0.88
Salicin	ME967048	0.99	1.23	0.67	1.02	1.32	0.78
MLS001335964-01!Enoximone77671-31-9	ME966977	1.04	0.96	0.56	1.12	1.19	1.20
DL-Glyceraldehyde 3-phosphate	ME966908	1.28	1.10	0.61	1.04	1.12	0.85
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one	ME966793	1.11	1.12	0.57	0.89	1.31	0.99
4-Hydroxy-6-Methylpyran-2-One	ME966845	1.23	0.95	0.57	0.99	1.20	1.05
Acetylcarnitine	ME966859	0.96	0.96	0.85	0.89	1.58	0.76
beta-D-Fructose 1,6-bisphosphate	ME966872	1.16	1.01	1.08	0.86	1.38	0.54
Xylose	ME967082	1.04	0.70	0.46	0.95	1.58	1.20
?-Gentiobiose	ME966797	1.08	1.03	0.26	1.06	1.60	0.68
MLS001049031-01!N-(4-bromophenyl)-2,2-diphenylacetamide	ME966968	1.00	1.24	0.18	1.00	1.72	0.73
MLS001074893-01!SU 9516	ME966971	1.14	0.88	0.36	0.93	1.71	0.99
7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one_2	ME966857	1.05	1.04	0.49	1.01	1.51	0.90
trans-p-Hydroxycinnamic acid	ME967063	1.03	1.05	0.50	0.99	1.54	0.90
trans-p-Hydroxycinnamic acid_2	ME967064	1.03	1.05	0.50	0.99	1.54	0.90
7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one	ME966856	1.06	0.99	0.50	1.02	1.52	0.91
Taurine	ME967055	1.06	1.02	0.47	1.04	1.50	0.90
Taurine_2	ME967056	1.09	1.02	0.47	1.04	1.51	0.88
L-beta-Homolysine_2	ME966946	1.68	0.33	0.44	1.36	1.61	0.58
NCGC00380130-01_C15H26O4_1,2-Naphthalenedimethanol, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-5,5,8a-trimethyl-	ME966998	1.41	0.32	0.30	1.19	1.69	0.99
Mycosporine serinol	ME966987	1.36	0.69	0.35	1.44	1.36	0.81
Xanthohumol	ME967080	1.52	0.55	0.55	1.35	1.28	0.59
2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-5H-[1,3]dioxolo[4,5-c]pyridin-4-one	ME966813	1.21	0.27	0.57	1.21	1.18	0.80
Haematommic Acid, Ethyl Ester	ME966929	1.29	0.52	0.60	1.44	1.13	1.02
4-(5-(3-(2-fluorophenyl)-4,8-dioxo-4,8,9,10-tetrahydropyrano[2,3-f]chromen-10-yl)furan-2-yl)benzoic acid	ME966835	0.86	0.52	0.72	1.36	1.19	1.15
NCGC00381248-01!4-oxododecanedioic acid	ME967006	1.04	0.62	0.79	1.21	1.46	0.88
N-Methylisoleucine_2	ME967019	0.91	0.71	0.97	1.11	1.54	0.76
Eremantholide A	ME966910	1.04	0.47	0.62	1.38	1.51	0.97
NCGC00381167-01!(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide	ME967004	1.23	0.56	0.53	1.16	1.50	1.01
Butanoic acid	ME966874	1.15	0.82	0.95	0.42	1.25	1.42
Cytochalasin B - CASMI2016 Category 1 - Challenge 3	ME966897	0.82	1.00	1.06	0.42	1.46	1.24
INDOLE	ME966938	1.06	1.12	1.24	0.60	0.85	1.13
L-beta-Homolysine_3	ME966947	1.28	1.01	1.07	0.93	0.61	1.10
NCGC00160263-01!2-(3-Methyl-5-oxo-2,5-dihydro-furan-2-ylmethyl)-quinoline	ME966994	1.10	1.11	1.16	0.85	0.47	1.31
MLS002153907-01!Cinchonine118-10-5	ME966979	1.38	0.24	1.57	0.73	1.05	0.64
L-Threonine	ME966952	1.30	0.52	1.46	0.94	0.78	1.01
1-Isothiocyanato-7-(methylsulfinyl)-heptane	ME966807	1.65	0.30	1.32	1.03	0.96	0.59
Bracteatin	ME966873	1.52	0.58	1.35	1.08	0.82	0.65
Lancerin	ME966944	1.39	0.52	1.24	1.19	0.84	0.82
PUTRESCINE DIHYDROCHLORIDE	ME967041	1.21	0.72	1.18	1.17	0.70	1.02
Maleamic acid	ME966954	1.26	0.60	1.15	1.06	0.90	1.03
NCGC00385231-01_C26H44O8_{(1S,2R,4aS,5R,8aS)-2-Hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl beta-D-threo-hexopyranoside	ME967009	1.37	0.67	1.07	0.89	0.89	1.10
Guanidinoacetic acid	ME966928	1.42	0.52	0.91	1.17	0.88	1.09
1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol	ME966803	1.34	0.58	0.83	1.23	1.09	0.93
1-Aminocyclopropane-1-carboxylic acid	ME966805	1.41	0.56	0.89	1.15	1.01	0.97
3-Ureidopropionic acid	ME966833	1.10	0.59	0.90	1.15	1.10	1.17
Helenine	ME966930	0.99	0.58	0.86	1.09	1.18	1.17
6,4^-Dihydroxyflavone	ME966853	1.06	0.56	1.09	1.23	1.13	0.93
gibberellic acid	ME966919	1.20	0.72	0.87	1.20	0.98	1.02
Ureidoglutaric acid	ME967069	1.28	0.61	1.04	1.11	1.02	0.94
Cephalexin - Dark Web Drugs	ME966882	1.21	0.66	0.99	1.12	1.05	0.98
MLS001030267-01!3-[1-(3-nitrophenyl)sulfonylpiperidin-2-yl]pyridine	ME966967	1.20	0.66	0.98	1.11	1.08	0.98
Glycine	ME966924	1.15	0.64	1.06	1.10	1.01	1.05
NCGC00168884-02!2,6-dihydroxyanthracene-9,10-dione	ME966995	1.14	0.73	0.97	1.08	1.03	1.05
gamma-Glutamylglutamine	ME966917	1.17	0.66	0.95	0.84	1.35	1.03
L-beta-Homolysine	ME966945	1.24	0.54	0.83	0.94	1.38	1.06
Triethanolamine	ME967066	1.49	0.68	1.00	0.98	1.17	0.69
MLS002153855-01!Norcyclobenzaprine303-50-4	ME966978	1.44	0.66	0.94	0.80	1.10	1.06
Taurine_4	ME967058	1.39	0.92	0.86	0.94	1.00	0.89
cyclopeptine	ME966895	1.15	0.54	1.21	0.95	1.48	0.67
Patchouli alcohol	ME967028	1.02	0.37	1.23	0.90	1.31	0.91
2-Phenylacetamide	ME966822	1.17	0.78	1.48	0.72	1.08	0.77
9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one	ME966858	1.13	0.75	1.36	1.14	0.99	0.63
5-hydroxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	ME966849	1.00	1.00	0.94	0.88	1.23	0.95
Pesticide9_Propamocarb_C9H20N2O2_Propyl [3-(dimethylamino)propyl]carbamate	ME967032	0.94	0.94	0.98	0.96	1.10	1.07
Vinyl Carbamate	ME967078	0.94	0.70	1.30	0.86	0.99	1.22
4-Methylethcathinone	ME966846	0.88	0.65	1.30	0.78	1.18	1.15
NCGC00385365-01_C11H16O3_2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S,7aR)-	ME967010	0.95	0.60	1.21	0.79	1.25	1.12
Alanine	ME966864	0.97	0.91	1.14	1.04	0.95	0.98
Choline	ME966883	0.89	0.84	1.44	0.93	0.98	0.92
MLS000584128-01!	ME966966	0.92	0.78	1.36	0.91	1.01	1.01
L-(+)-Arginine	ME966943	1.06	0.80	1.32	0.90	1.08	0.84
4,7-Phenanthroline	ME966837	1.06	0.82	1.21	0.90	1.02	1.00
Gramine	ME966927	1.04	0.85	1.24	0.86	1.03	0.98
Methamphetamine	ME966959	0.65	0.69	1.16	1.26	1.15	1.08
Angelicin	ME966868	0.67	0.86	1.22	1.02	1.38	0.94
4H-chromen-4-one	ME966841	0.78	0.77	1.14	0.87	1.32	1.11
N6-Acetyl-L-lysine	ME966988	0.84	0.62	1.12	0.90	1.48	1.05
Flurbiprofen (Ansaid)	ME966915	1.00	0.42	1.30	1.05	0.81	1.43
4-(Dimethylamino)pyridine	ME966836	0.63	0.64	1.24	1.11	0.83	1.55
4-Guanidinobutyric acid	ME966840	0.82	0.48	1.01	0.96	1.05	1.68
Gly-Gly-Gly	ME966926	0.89	0.66	0.91	1.03	0.86	1.64
((1S,9aR)-octahydro-1H-quinolizin-1-yl)methanamine	ME966787	0.93	0.47	1.54	1.20	0.32	1.54
Desethyl atrazine	ME966903	0.80	0.56	1.56	0.84	0.44	1.81
Glu-Thr	ME966923	1.35	0.24	1.45	0.72	0.77	1.47
Rutilantinone	ME967047	1.31	NA	1.02	0.79	0.60	1.27
MLS002154189-01!Homatropine hydrobromide (R,S)51-56-9_2	ME966981	1.59	0.33	0.87	0.83	0.79	1.54
Spermidine_2	ME967053	1.56	0.30	1.09	0.75	0.84	1.47
Icariside I	ME966936	1.48	0.17	1.23	1.20	0.71	1.06
2,6-Dimethoxyquinone	ME966815	1.63	0.18	0.99	1.15	0.75	1.29
2,6-Dimethoxyquinone_2	ME966816	1.53	0.27	1.19	0.94	0.86	1.22
Aconitic Acid	ME966862	1.91	0.08	0.72	0.99	0.27	1.15
MMV002816	ME966983	1.72	0.60	1.21	1.00	0.24	1.23
Uridine-5-diphosphoacetylgalactosamine	ME967071	1.91	0.44	0.97	0.68	0.11	1.07
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	ME967013	1.53	1.88	0.17	0.58	0.72	1.28
3-Hydroxypyridine	ME966829	1.87	0.15	0.15	1.21	0.54	1.74
Taurine_3	ME967057	1.29	0.92	0.54	1.31	0.65	1.28
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoate	ME966798	1.14	0.61	NA	1.15	0.59	1.66
Apotoxicarol	ME966870	1.43	0.79	0.33	0.95	0.64	1.92
curvularin	ME966894	1.31	0.99	0.30	1.08	0.52	1.59
N-Cyclohexylformamide	ME967011	1.54	0.18	1.31	1.72	0.76	0.48
Specioside	ME967051	2.72	0.22	1.00	0.93	0.22	0.75
Spermidine	ME967052	2.39	0.11	1.30	1.07	0.76	0.37
(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one	ME966789	2.12	0.01	0.85	1.24	0.38	0.48
Ecgonine	ME966909	2.36	0.07	1.13	1.31	0.51	0.62
Methazolamide	ME966960	1.81	0.51	0.22	1.28	0.55	0.23
NCGC00385222-01_C19H26O13_beta-D-Fructofuranosyl 6-O-(4-hydroxybenzoyl)-alpha-D-glucopyranoside	ME967008	2.01	0.11	0.28	1.05	1.00	0.41
Xanthine	ME967079	1.66	0.75	0.50	1.85	0.60	0.64
MLS001055349-01!80-08-0	ME966969	1.69	0.61	0.89	1.11	0.82	0.80
5^-Methylthioadenosine	ME966851	1.97	0.48	0.62	1.29	0.52	1.03
C11H20N2O5S2	ME966876	1.99	0.21	0.79	1.36	0.77	0.67
O-Phosphocolamine	ME967023	1.82	0.38	0.66	1.31	0.91	0.91
3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid	ME966824	2.00	0.10	0.78	1.76	0.34	0.75
flavone	ME966913	2.37	0.25	0.50	1.57	0.58	0.47
(3aR,3a1S,5S,5aS,10bS)-methyl 6-acetyl-3a-ethyl-2,3,3a,3a1,4,5,5a,6,11,12-decahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate	ME966794	1.60	NA	NA	0.52	1.36	1.13
Butylamine	ME966875	1.59	0.44	0.46	0.48	1.65	1.38
N-Isovalerylglycine	ME967015	1.69	0.36	0.41	0.88	1.03	1.36
Triethanolamine_2	ME967067	1.82	0.85	0.50	0.90	1.12	0.81
2^-Deoxycytidine	ME966820	1.94	0.26	0.59	0.57	1.50	0.54
N-Acetylglucosamine	ME966991	2.31	NA	0.75	0.37	1.12	0.44
N-Methylisoleucine_3	ME967020	2.51	0.27	1.04	0.58	1.23	0.39
1,2-dihydroxyheptadec-16-yn-4-yl acetate	ME966802	1.85	NA	1.26	0.29	1.09	0.95
Trehalose	ME967065	1.95	0.29	0.87	0.06	1.72	0.91
MLS002154189-01!Homatropine hydrobromide (R,S)51-56-9	ME966980	2.39	0.14	1.94	0.87	0.31	0.34
Chrysin_2	ME966886	2.36	0.81	1.14	0.55	0.19	0.06
Chrysin_3	ME966887	2.71	0.15	1.48	0.26	0.07	0.09
CYCLOSERINE	ME966896	1.82	NA	0.11	0.39	NA	0.46
Chrysin	ME966885	3.05	0.06	0.49	0.19	0.00	0.11
(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one_2	ME966790	3.10	0.01	0.42	1.02	0.54	0.49
Xanthosine	ME967081	2.79	0.75	0.45	0.91	0.22	0.78

Factors:

F1	Genotype:Acod1 \| Treatment:Citrobacter rodentium
F2	Genotype:Acod1 \| Treatment:Control
F3	Genotype:Acod1 \| Treatment:Dextran sulfate sodium
F4	Genotype:WT \| Treatment:Citrobacter rodentium
F5	Genotype:WT \| Treatment:Control
F6	Genotype:WT \| Treatment:Dextran sulfate sodium

Data matrix