Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002090)

(Analysis AN003414)

Metabolite	Structure	F1	F2	F3	F4
2,8-quinolinediol sulfate	ME486931	0.78	NA	0.21	2.01
orotate	ME487282	0.34	0.31	0.75	2.60
1-ribosyl-imidazoleacetate*	ME487209	NA	0.06	1.13	1.81
genistein glucuronide*	ME487565	0.00	NA	0.91	2.09
shikimate	ME487019	NA	0.19	0.89	1.92
dihydroferulic acid sulfate	ME486782	0.23	NA	1.19	1.58
feruloylquinate (5)	ME486823	0.30	NA	1.29	1.41
sphingomyelin (d18:1/14:0, d16:1/16:0)*	ME487048	0.19	NA	1.35	1.46
4-hydroxyhippurate	ME486855	NA	0.17	1.39	1.45
N2,N2-dimethylguanosine	ME487343	NA	0.05	1.44	1.51
2-methylbutyrylcarnitine (C5)	ME487122	NA	0.20	1.63	1.17
1,1-kestotetraose	ME487530	0.02	NA	1.57	1.41
histidine betaine (hercynine)*	ME487680	0.12	NA	1.47	1.41
feruloylquinate (4)	ME486941	0.09	NA	1.52	1.39
orotidine	ME487091	0.11	NA	1.54	1.35
sphingomyelin (d18:1/24:1, d18:2/24:0)*	ME487400	0.12	NA	1.55	1.33
2-O-methylascorbic acid	ME487303	0.11	NA	1.68	1.21
cyclo(pro-hydroxypro)*	ME487016	0.12	NA	1.63	1.25
dimethylguanidino valeric acid (DMGV)*	ME487312	NA	0.06	1.62	1.32
N6-carbamoylthreonyladenosine	ME487049	NA	0.05	1.71	1.24
bilirubin degradation product, C17H20N2O5 (2)**	ME486884	0.25	NA	1.65	1.10
taurochenodeoxycholate	ME487285	0.31	NA	1.55	1.14
2-acetamidophenol sulfate	ME486844	0.44	NA	1.38	1.18
5-dodecenoylcarnitine (C12:1)	ME487098	0.47	NA	1.53	1.00
N-acetyl-aspartyl-glutamate (NAAG)	ME486965	0.48	NA	1.45	1.07
N-carbamoylalanine	ME486777	0.74	NA	1.39	0.87
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3)	ME486843	0.61	NA	1.25	1.14
Flavone derivative C26H28O14 (7)*	ME486911	0.77	NA	1.16	1.07
hexanoyltaurine	ME486737	NA	NA	0.61	1.39
naringenin 7-glucuronide	ME486975	NA	NA	0.60	1.40
daidzein 7-O-glucuronide	ME487512	NA	NA	0.55	1.45
methylthioadenosine sulfoxide	ME487079	NA	NA	0.57	1.43
1-linolenoyl-GPC (18:3)*	ME486744	NA	NA	0.77	1.23
apigenin glucuronide (2)	ME486999	NA	NA	0.75	1.25
3-hydroxy-2-methylpyridine sulfate	ME486716	NA	NA	0.70	1.30
3-hydroxypyridine sulfate	ME486730	NA	NA	0.70	1.30
cyclo(his-phe)	ME486878	NA	NA	0.67	1.33
glycitein glucuronide (2)*	ME487353	NA	NA	0.67	1.33
N-acetyl-2-aminooctanoate*	ME486694	NA	NA	1.22	0.78
5-(2-Hydroxyethyl)-4-methylthiazole	ME486732	NA	NA	1.24	0.76
dimethyl sulfone	ME486724	NA	NA	1.24	0.76
raffinose	ME487784	NA	NA	1.35	0.65
bilirubin degradation product, C17H20N2O5 (1)**	ME486840	NA	NA	1.28	0.72
cis-4-decenoylcarnitine (C10:1)	ME487195	NA	NA	1.27	0.73
taurochenodeoxycholic acid (7 or 27)-sulfate	ME487630	NA	NA	1.30	0.70
resveratrol sulfate (1)*	ME486828	NA	NA	1.30	0.70
gamma-CEHC glucuronide*	ME486729	NA	NA	1.30	0.70
myristoleoylcarnitine (C14:1)*	ME487397	NA	NA	1.30	0.70
laurylcarnitine (C12)	ME487080	NA	NA	1.31	0.69
linolenoylcarnitine (C18:3)*	ME486893	NA	NA	1.32	0.68
5-methylcytidine	ME486780	NA	NA	1.51	0.49
galactinol	ME487137	NA	NA	1.41	0.59
2-palmitoyl-GPC (16:0)*	ME486774	NA	NA	1.43	0.57
arachidonoylcarnitine (C20:4)	ME486816	NA	NA	1.43	0.57
ferulylglycine (1)	ME487332	NA	NA	1.08	0.92
vanillic alcohol sulfate	ME486834	NA	NA	1.07	0.93
4-hydroxycinnamate sulfate	ME487453	NA	NA	1.07	0.93
urea	ME487582	NA	NA	1.07	0.93
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	ME487055	NA	NA	1.06	0.94
narirutin (naringenin 7-O-rutinoside)	ME486718	NA	NA	1.06	0.94
biopterin	ME486766	NA	NA	1.06	0.94
glycitein sulfate (1)	ME486900	NA	NA	1.06	0.94
cyclo(pro-sulfo-tyr)*	ME486715	NA	NA	1.01	0.99
vanillic acid glycine	ME487292	NA	NA	1.02	0.98
1-kestose	ME487483	NA	NA	1.03	0.97
feruloylquinate (3)	ME486731	NA	NA	1.03	0.97
Flavone derivative C26H28O14 (6)*	ME486710	NA	NA	1.13	0.87
1-methyladenine	ME487534	NA	NA	1.12	0.88
alpha-CEHC glucuronide*	ME486740	NA	NA	1.12	0.88
5-methylthioadenosine (MTA)	ME487002	NA	NA	1.10	0.90
indole	ME486797	NA	NA	1.11	0.89
1-linoleoyl-digalactosylglycerol (18:2)*	ME486754	NA	NA	1.16	0.84
ascorbic acid 2-sulfate	ME486994	NA	NA	1.15	0.85
caffeic acid sulfate	ME487445	NA	NA	1.17	0.83
dihydrobiopterin	ME486951	NA	NA	1.17	0.83
alpha-CMBHC glucuronide	ME487010	NA	NA	1.19	0.81
tauroursodeoxycholic acid sulfate (2)	ME486932	NA	NA	1.18	0.82
4-acetylphenol sulfate	ME486738	NA	NA	0.82	1.18
phenylacetyltaurine	ME486760	NA	NA	0.83	1.17
nicotinamide N-oxide	ME486795	NA	NA	0.84	1.16
ferulylglycine (2)	ME486863	NA	NA	0.85	1.15
hippurate	ME486709	NA	NA	0.85	1.15
gamma-glutamylvaline	ME487533	NA	NA	0.93	1.07
pro-hydroxy-pro	ME487763	NA	NA	0.93	1.07
lanthionine	ME487199	NA	NA	0.92	1.08
succinoyltaurine	ME487224	NA	NA	0.92	1.08
diosmin (diosmetin 7-rutinoside)	ME486702	NA	NA	0.95	1.05
allantoic acid	ME486708	NA	NA	0.98	1.02
N-acetyl-3-methylhistidine*	ME487111	NA	NA	0.97	1.03
butyrylglycine	ME486722	NA	NA	0.97	1.03
3-(3-amino-3-carboxypropyl)uridine*	ME486719	NA	NA	0.97	1.03
3-methoxycatechol sulfate (2)	ME486696	NA	NA	0.97	1.03
argininate*	ME487469	0.72	0.28	1.49	1.51
soyasaponin I	ME487711	0.73	0.18	1.63	1.47
soyasaponin II	ME487648	0.72	0.18	1.61	1.48
gamma-glutamylglutamate	ME487391	0.20	0.56	1.44	1.79
N1-methylguanosine	ME487470	0.27	0.45	1.47	1.81
galactosylglycerol	ME486875	0.51	0.37	1.29	1.84
maleate	ME487298	0.50	0.40	1.42	1.68
N6,N6,N6-trimethyllysine	ME487715	0.43	0.39	1.42	1.76
gamma-glutamyl-alpha-lysine	ME487542	0.36	0.33	1.45	1.87
quinate	ME487625	0.40	0.40	1.36	1.85
1-linoleoyl-GPC (18:2)	ME487442	0.70	0.39	1.17	1.75
1-oleoyl-GPC (18:1)	ME487447	0.63	0.44	1.32	1.61
cysteine s-sulfate	ME487589	0.54	0.50	1.31	1.65
homocitrulline	ME487093	0.45	0.72	1.25	1.58
cystathionine	ME487108	0.52	0.63	1.43	1.42
N-palmitoyl-sphinganine (d18:0/16:0)	ME487485	0.49	0.62	1.39	1.50
N-acetylhistidine	ME487532	0.40	0.51	1.53	1.56
proline	ME487807	0.47	0.54	1.41	1.57
luteolin sulfate	ME487222	0.21	0.05	2.02	1.72
tauroursodeoxycholate	ME487381	0.20	0.03	2.07	1.70
stachyose	ME487699	0.09	0.11	1.91	1.89
feruloylquinate (1)	ME486970	0.10	0.09	1.96	1.85
gamma-glutamyl-epsilon-lysine	ME487749	0.11	0.07	1.96	1.86
ferulic acid 4-sulfate	ME487717	0.01	0.01	2.06	1.92
vanillin sulfate	ME487274	0.03	0.01	2.03	1.92
feruloylquinate (2)	ME487045	0.08	0.07	2.05	1.81
mannonate*	ME487561	0.05	0.05	2.08	1.81
daidzein sulfate (2)	ME487786	0.01	0.00	2.17	1.82
daidzein sulfate (1)	ME487694	0.03	0.01	2.12	1.84
glycitein sulfate (2)	ME487719	0.01	0.00	2.11	1.89
choline	ME487799	0.24	0.34	1.54	1.88
gamma-glutamylphenylalanine	ME487379	0.26	0.33	1.55	1.86
isoleucylhydroxyproline*	ME487220	0.22	0.20	1.64	1.94
N-acetylarginine	ME487621	0.20	0.23	1.67	1.90
N-acetyltaurine	ME487571	0.22	0.04	1.72	2.01
prolylglycine	ME487611	0.18	0.13	1.76	1.93
arabitol/xylitol	ME487458	0.19	0.06	1.81	1.94
2-oxoarginine*	ME487721	0.15	0.12	1.83	1.90
N1,N10-dicoumaroylspermidine	ME487606	0.13	0.08	1.87	1.92
isocitric lactone	ME487462	0.07	0.10	1.77	2.06
gamma-glutamylhistidine	ME487327	0.10	0.17	1.77	1.96
gamma-glutamylisoleucine*	ME487326	0.08	0.12	1.82	1.98
gamma-glutamylglycine	ME487636	0.07	0.28	1.92	1.73
gamma-glutamylthreonine	ME487289	0.17	0.21	1.78	1.84
trans-4-hydroxyproline	ME487768	0.18	0.19	1.84	1.79
urate	ME487417	0.18	0.67	1.62	1.52
gamma-glutamylmethionine	ME487541	0.11	0.56	1.63	1.70
gamma-glutamylleucine	ME487072	0.19	0.46	1.67	1.67
gamma-glutamyltyrosine	ME486864	0.20	0.48	1.72	1.59
arabonate/xylonate	ME487669	0.50	0.23	1.87	1.41
gulonate*	ME487641	0.23	0.17	2.07	1.53
behenoyl sphingomyelin (d18:1/22:0)*	ME487178	0.29	0.21	1.91	1.59
pentose acid*	ME487499	0.30	0.14	1.93	1.63
cyclo(his-pro)	ME487645	0.22	0.24	1.95	1.60
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	ME487182	0.28	0.25	1.96	1.51
4-guanidinobutanoate	ME487695	0.44	0.20	1.77	1.59
palmitoyl sphingomyelin (d18:1/16:0)	ME487683	0.32	0.39	1.81	1.49
N-acetylalanine	ME487574	0.35	0.29	1.73	1.63
ribonate	ME487531	0.35	0.27	1.75	1.63
isovalerylcarnitine (C5)	ME487149	0.37	0.34	1.74	1.56
O-sulfo-L-tyrosine	ME486848	0.32	0.37	1.73	1.58
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	ME487448	0.30	0.36	1.78	1.57
S-carboxyethylcysteine	ME487059	0.12	0.10	1.25	2.53
creatinine	ME487796	0.40	0.02	1.62	1.95
pinitol	ME487754	0.51	0.08	1.45	1.95
myo-inositol	ME487473	0.35	0.32	1.30	2.04
gamma-glutamylglutamine	ME487439	0.15	0.30	1.45	2.10
N1-methyladenosine	ME487351	0.24	0.18	1.45	2.13
leucylhydroxyproline*	ME487479	0.14	0.20	1.50	2.15
sucrose	ME487456	0.17	0.14	1.53	2.16
beta-citrylglutamate	ME486964	0.10	0.24	2.25	1.41
putrescine	ME487564	0.09	0.14	2.26	1.51
genistein sulfate*	ME487785	0.03	0.00	2.24	1.73
apigenin sulfate (1)	ME487279	0.10	0.03	2.34	1.53
ascorbic acid 3-sulfate*	ME487610	0.00	0.01	2.40	1.59
1-stearoyl-GPI (18:0)	ME487117	0.34	0.29	2.11	1.26
lyxonate	ME487659	0.25	0.21	2.26	1.27
tauro-beta-muricholate	ME487792	0.09	0.01	2.68	1.22
taurocholate	ME487724	0.25	0.04	2.48	1.23
linoleoylcarnitine (C18:2)*	ME487297	0.19	0.13	2.40	1.28
myristoylcarnitine (C14)	ME487267	0.19	0.15	2.43	1.23
lactobacillic acid	ME487188	0.26	0.54	2.53	0.66
(16 or 17)-methylstearate (a19:0 or i19:0)	ME487121	0.34	0.53	2.19	0.94
agmatine	ME487570	0.35	0.49	2.25	0.91
2-stearoyl-GPE (18:0)*	ME487071	0.30	0.42	2.24	1.05
arachidate (20:0)	ME487726	0.24	0.47	2.34	0.96
18-methylnonadecanoate (i20:0)	ME487337	0.11	0.55	2.37	0.97
thiamin (Vitamin B1)	ME487559	0.28	0.35	2.44	0.93
xanthine	ME487723	0.16	0.40	2.44	1.00
spermine	ME487316	0.05	1.07	1.98	0.90
erucate (22:1n9)	ME487662	0.26	0.78	2.13	0.83
heme	ME487140	0.31	0.87	2.28	0.55
dihydrokaempferol	ME486794	0.46	NA	2.16	0.38
N6-succinyladenosine	ME486961	NA	0.08	2.04	0.88
cadaverine	ME487389	0.06	NA	2.14	0.81
digalactosylglycerol*	ME487707	NA	0.00	2.18	0.82
histamine	ME487491	0.41	0.84	1.60	1.15
N-acetylputrescine	ME487720	0.34	0.88	1.65	1.12
1-(1-enyl-oleoyl)-GPE (P-18:1)*	ME487125	0.17	1.06	1.56	1.20
1-stearoyl-GPS (18:0)*	ME487223	0.25	0.96	1.62	1.17
2-hydroxyarachidate*	ME487324	0.40	0.90	1.88	0.83
eicosenoate (20:1)	ME487761	0.44	0.95	1.95	0.66
2-oxoadipate	ME487150	0.31	0.89	1.80	1.00
imidazole lactate	ME487380	0.42	0.98	1.71	0.89
2-hydroxypalmitate	ME487383	0.66	0.84	1.56	0.94
N-stearoyl-sphingosine (d18:1/18:0)*	ME487060	0.63	0.81	1.55	1.01
carotene diol (3)	ME487500	0.71	0.71	1.58	1.00
1-methylhistidine	ME486920	0.65	0.75	1.62	0.99
cholesterol	ME487629	0.63	0.71	1.60	1.06
oleoylcarnitine (C18:1)	ME487143	0.62	0.71	1.64	1.03
creatine	ME487788	0.72	0.75	1.42	1.11
N-palmitoyl-sphingosine (d18:1/16:0)	ME487649	0.57	0.77	1.50	1.15
1-docosahexaenoylglycerol (22:6)	ME486945	0.65	0.93	1.55	0.87
palmitate (16:0)	ME487800	0.58	0.88	1.66	0.88
carotene diol (2)	ME487480	0.80	0.80	1.44	0.96
deoxymugineic acid	ME487392	0.76	0.90	1.43	0.91
stearoylcarnitine (C18)	ME487141	0.75	0.94	1.44	0.86
3-deoxyoctulosonate	ME487109	0.87	0.66	1.74	0.73
caprylate (8:0)	ME487663	0.74	0.96	1.67	0.63
bilirubin degradation product, C17H18N2O4 (3)**	ME487154	0.73	0.18	1.96	1.13
taurocholenate sulfate*	ME487240	0.62	0.26	2.09	1.03
bilirubin degradation product, C17H18N2O4 (1)**	ME486902	0.61	0.15	2.12	1.12
bilirubin degradation product, C17H18N2O4 (2)**	ME487233	0.54	0.14	2.16	1.16
N-acetylpyrraline	ME486988	0.53	0.40	1.67	1.41
1-palmitoyl-GPC (16:0)	ME487614	0.42	0.39	1.79	1.40
1-stearoyl-GPE (18:0)	ME487607	0.39	0.40	1.77	1.43
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**	ME486948	0.41	0.47	1.76	1.36
N-acetylthreonine	ME487557	0.44	0.47	1.71	1.39
ceramide (d18:1/14:0, d16:1/16:0)*	ME486909	0.47	0.60	1.55	1.38
N-acetylserine	ME487347	0.44	0.50	1.63	1.43
1-lignoceroyl-GPC (24:0)	ME487088	0.32	0.67	1.61	1.39
octanoylcarnitine (C8)	ME486768	0.36	0.57	1.74	1.34
1-oleoyl-GPE (18:1)	ME487338	0.63	0.54	1.67	1.17
beta-cryptoxanthin	ME487367	0.57	0.55	1.69	1.19
eicosanoylsphingosine (d20:1)*	ME487276	0.63	0.49	1.63	1.25
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*	ME487321	0.60	0.53	1.60	1.27
harmane	ME487085	0.58	0.56	1.62	1.24
palmitoylcarnitine (C16)	ME487264	0.52	0.67	1.73	1.08
stearoyl sphingomyelin (d18:1/18:0)	ME487030	0.43	0.62	1.75	1.20
pseudouridine	ME487205	0.16	0.63	1.97	1.23
palmitoleoylcarnitine (C16:1)*	ME487271	0.53	0.41	1.96	1.10
sphingosine	ME487516	0.42	0.37	2.05	1.16
N-acetylisoleucine	ME487116	0.47	0.38	1.89	1.26
1-stearoyl-GPC (18:0)	ME487567	0.43	0.54	1.91	1.12
heptadecasphingosine (d17:1)	ME487009	0.45	0.48	1.88	1.19
nonadecanoate (19:0)	ME487412	0.43	0.59	2.11	0.87
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*	ME487057	0.48	0.63	1.94	0.94
linoleoyl ethanolamide	ME487307	0.59	0.62	1.88	0.90
2^-O-methyluridine	ME486741	NA	0.58	1.84	0.58
3-hydroxyisobutyrate	ME486807	NA	0.76	1.54	0.71
hexanoylcarnitine (C6)	ME486809	NA	0.83	1.63	0.54
ceramide (d18:1/17:0, d17:1/18:0)*	ME486822	NA	0.92	1.13	0.95
gamma-glutamyltryptophan	ME486785	NA	0.88	1.14	0.98
Flavone derivative C26H28O14 (5)*	ME486798	NA	0.52	1.17	1.31
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	ME486958	NA	0.44	1.50	1.06
N-palmitoylglycine	ME486769	NA	0.67	1.35	0.97
malonate	ME487777	1.83	1.48	0.28	0.41
glutaminylleucine	ME487213	1.93	1.39	0.31	0.37
glycylleucine	ME487696	1.89	1.45	0.30	0.36
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	ME486923	1.75	1.43	0.47	0.35
glycerophosphoethanolamine	ME487590	1.72	1.42	0.42	0.44
3-dehydroshikimate	ME486957	1.92	1.25	0.41	0.41
indoleacetate	ME486985	1.83	1.30	0.51	0.36
sinapate	ME487194	1.87	1.31	0.48	0.33
1,2,3-benzenetriol sulfate (2)	ME486784	1.83	1.37	0.38	0.42
adenine	ME487624	1.84	1.38	0.43	0.35
methylsuccinate	ME487237	1.51	1.64	0.47	0.39
threonine	ME487779	1.58	1.59	0.41	0.42
beta-alanine	ME487502	1.61	1.76	0.25	0.38
serine	ME487767	1.62	1.69	0.35	0.33
trimethylamine N-oxide	ME487039	1.80	1.76	0.16	0.28
2-hydroxyglutarate	ME487420	1.92	1.75	0.15	0.19
isoleucylglycine	ME487251	1.95	1.69	0.15	0.21
2-hydroxy-3-methylvalerate	ME487234	1.78	1.69	0.37	0.16
chenodeoxycholic acid sulfate (3)	ME487138	1.70	1.68	0.41	0.21
2-hydroxy-4-(methylthio)butanoic acid	ME487228	1.91	1.70	0.31	0.09
2-oxindole-3-acetate	ME487672	1.86	1.70	0.25	0.19
N-acetylglutamine	ME487174	1.80	1.68	0.28	0.24
glycylisoleucine	ME487632	1.82	1.56	0.31	0.31
glycolate (hydroxyacetate)	ME486796	1.90	1.60	0.26	0.23
ribulose/xylulose	ME487008	1.88	1.56	0.31	0.25
histidylalanine	ME487221	2.29	1.11	0.20	0.40
leucylglycine	ME487568	2.20	1.15	0.32	0.33
alpha-hydroxyisocaproate	ME487378	2.19	1.36	0.31	0.15
2,4,6-trihydroxybenzoate	ME487123	2.24	1.30	0.24	0.22
glutarate (C5-DC)	ME487106	2.18	1.31	0.27	0.24
glycylvaline	ME487698	2.08	1.31	0.29	0.32
glycerophosphoglycerol	ME487482	2.02	1.45	0.23	0.30
lactate	ME487727	2.12	1.39	0.19	0.30
glucose	ME487773	2.10	1.61	0.06	0.22
3-hydroxy-3-methylglutarate	ME487656	2.07	1.62	0.16	0.15
mannitol/sorbitol	ME487371	2.05	1.71	0.12	0.13
indolelactate	ME487403	2.22	1.59	0.13	0.06
nicotinate ribonucleoside	ME487735	2.28	1.59	0.06	0.06
2-aminophenol	ME487463	2.14	1.51	0.17	0.18
salicylate	ME487385	2.25	1.44	0.14	0.17
pheophytin A	ME487655	2.24	1.52	0.08	0.16
lysylleucine	ME487428	2.22	1.49	0.14	0.15
pipecolate	ME487716	2.22	1.53	0.12	0.12
2,6-dihydroxybenzoic acid	ME487515	2.41	1.56	0.01	0.02
3,5-dihydroxyphenylpropionate	ME487471	2.07	1.89	0.02	0.02
beta-muricholate	ME487793	2.32	1.67	0.00	0.00
N-acetylglucosamine/N-acetylgalactosamine	ME487664	2.18	1.80	0.01	0.00
butyrate/isobutyrate (4:0)	ME487757	2.25	1.74	0.00	0.00
N-acetylglutamate	ME487653	2.21	1.74	0.02	0.03
2-hydroxyadipate	ME486997	1.52	1.26	NA	0.22
diaminopimelate	ME487003	1.57	1.21	NA	0.22
gentisate	ME487446	1.58	1.39	0.03	NA
isovalerate (i5:0)	ME487354	1.65	1.25	0.10	NA
3-ureidopropionate	ME486827	2.06	0.78	NA	0.16
arabinose	ME487498	2.20	0.74	NA	0.06
3-hydroxyhexanoate	ME486851	1.83	0.94	0.23	NA
10-hydroxystearate	ME487609	1.97	0.97	NA	0.06
valerate (5:0)	ME487682	1.99	1.00	0.01	NA
chrysoeriol (3^-O-methylluteolin)	ME487232	2.16	0.89	0.54	0.41
coumestrol	ME487105	2.25	0.93	0.48	0.33
methionine sulfoxide	ME487712	1.99	1.05	0.41	0.55
threonylphenylalanine	ME487384	2.02	1.01	0.48	0.48
Flavone derivative C26H28O14 (2)*	ME487318	1.93	1.00	0.53	0.55
leucylalanine	ME487520	1.97	1.00	0.52	0.51
linoleoylcholine*	ME486969	2.11	1.04	0.33	0.52
leucylglutamine*	ME487388	2.17	0.93	0.37	0.54
phenylalanylglycine	ME487348	2.09	0.96	0.43	0.52
tryptophylglycine	ME487184	2.09	0.95	0.49	0.48
valylglutamine	ME487364	1.95	0.82	0.54	0.68
2-linoleoylglycerol (18:2)	ME487546	1.94	0.73	0.76	0.57
Flavone derivative C26H28O14 (1)*	ME487258	2.05	0.69	0.63	0.62
p-hydroxybenzaldehyde	ME487159	2.38	0.68	0.60	0.35
1-palmitoleoylglycerol (16:1)*	ME487054	2.20	0.69	0.54	0.57
Flavone derivative C26H28O14 (4)*	ME487487	2.21	0.64	0.61	0.54
taurine	ME487722	2.51	1.16	0.12	0.20
val-val-ala	ME487005	2.57	1.16	0.11	0.16
4-hydroxybenzoate	ME487358	2.48	1.34	0.10	0.08
alpha-hydroxyisovalerate	ME487592	2.48	1.25	0.19	0.08
2,3-dihydroxyisovalerate	ME487488	2.79	1.10	0.04	0.08
cholate	ME487770	2.69	1.30	0.00	0.00
maltol	ME487697	2.67	1.26	0.03	0.03
pheophorbide A	ME487560	2.64	0.90	0.23	0.23
valylleucine	ME487660	2.81	0.89	0.14	0.16
methionine sulfone	ME486940	2.54	0.89	0.20	0.37
asparagine	ME487755	2.51	0.86	0.21	0.42
dehydroabietic acid	ME487566	2.52	0.81	0.24	0.42
alanylleucine	ME487583	2.42	0.94	0.31	0.32
valylglycine	ME487202	2.45	1.05	0.20	0.30
N1,N12-diacetylspermine	ME487145	1.52	0.48	NA	NA
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*	ME486916	1.88	NA	0.12	NA
3-hydroxyadipate	ME486746	1.60	NA	NA	0.40
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	ME486981	1.64	NA	NA	0.36
chenodeoxycholate	ME487325	3.07	0.88	0.02	0.03
syringic acid	ME487284	3.13	0.49	0.21	0.18
vanillate	ME487306	3.40	0.35	0.14	0.11
chiro-inositol	ME487513	2.08	0.08	0.34	1.50
isopimaric acid	ME487545	2.23	0.42	0.18	1.18
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*	ME487065	1.93	NA	0.45	0.62
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	ME487268	2.24	NA	0.13	0.63
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*	ME487227	2.17	NA	0.31	0.52
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*	ME487635	2.29	0.40	0.45	0.86
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	ME487643	2.41	0.26	0.49	0.84
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	ME487687	2.57	0.25	0.43	0.75
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	ME487576	2.55	0.24	0.45	0.76
daidzein	ME487762	2.69	0.51	0.35	0.44
glycitein	ME487670	2.73	0.28	0.48	0.51
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	ME487164	3.12	0.17	0.28	0.43
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	ME487665	2.83	0.15	0.32	0.70
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*	ME487135	2.77	0.21	0.36	0.65
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*	ME487503	3.03	0.13	0.29	0.56
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	ME487551	2.90	0.12	0.31	0.67
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	ME487368	2.96	0.13	0.28	0.63
matairesinol	ME486755	NA	1.37	NA	0.63
adenosine 5^-monophosphate (AMP)	ME487197	0.50	1.50	NA	NA
N6-methyladenosine	ME486838	0.55	1.45	NA	NA
uridine 5^-monophosphate (UMP)	ME487156	0.53	1.47	NA	NA
12-ketolithocholate	ME487489	0.53	1.47	NA	NA
enterolactone	ME487179	0.53	1.47	NA	NA
5alpha-pregnan-3beta,20alpha-diol disulfate	ME487246	0.44	1.56	NA	NA
tryptamine	ME486792	0.47	1.53	NA	NA
tryptophol	ME486726	0.46	1.54	NA	NA
cholate sulfate	ME487366	0.35	1.65	NA	NA
2^-deoxycytidine 5^-monophosphate	ME486968	0.39	1.61	NA	NA
lithocholate	ME487131	0.39	1.61	NA	NA
tyrosol	ME486837	0.42	1.58	NA	NA
ursodeoxycholate sulfate (1)	ME487577	0.41	1.59	NA	NA
xylose	ME486935	NA	1.88	NA	0.12
pregnenediol disulfate (C21H34O8S2)*	ME487263	0.13	1.87	NA	NA
uridine-2^,3^-cyclic monophosphate	ME487147	0.15	1.85	NA	NA
1-methylhistamine	ME486882	0.16	1.84	NA	NA
butyrylputrescine/isobutyrylputrescine	ME486990	0.17	1.83	NA	NA
3-dehydrodeoxycholate	ME487484	0.25	1.75	NA	NA
deoxycholic acid 3-sulfate	ME487270	0.29	1.71	NA	NA
ursodeoxycholate	ME487431	1.11	0.89	NA	NA
1,5-anhydroglucitol (1,5-AG)	ME487012	1.12	0.88	NA	NA
S-methylcysteine	ME486747	1.13	0.87	NA	NA
dihydroferulate	ME487355	1.02	0.98	NA	NA
nicotinamide ribonucleotide (NMN)	ME487252	1.06	0.94	NA	NA
oleanolate	ME487374	1.06	0.94	NA	NA
pinosylvin	ME486725	1.32	0.68	NA	NA
3-dehydrocholate	ME487434	1.28	0.72	NA	NA
4-hydroxyphenylacetate	ME486874	1.28	0.72	NA	NA
12-dehydrocholate	ME487290	1.23	0.77	NA	NA
3-hydroxyoctanoate	ME486771	1.20	0.80	NA	NA
chenodeoxycholic acid sulfate (1)	ME487408	1.18	0.82	NA	NA
p-cresol sulfate	ME486711	1.18	0.82	NA	NA
25-hydroxycholesterol sulfate	ME487524	0.70	1.30	NA	NA
nicotinic acid mononucleotide (NaMN)	ME487411	0.70	1.30	NA	NA
butyrylcarnitine (C4)	ME487477	0.66	1.34	NA	NA
D-urobilin	ME487425	0.66	1.34	NA	NA
DIMBOA	ME486886	0.79	1.21	NA	NA
pyridoxine (Vitamin B6)	ME487435	0.79	1.21	NA	NA
N-glycolylneuraminate	ME486788	0.85	1.15	NA	NA
I-urobilinogen	ME487540	0.84	1.16	NA	NA
beta-guanidinopropanoate	ME487110	0.83	1.17	NA	NA
N,N,N-trimethyl-5-aminovalerate	ME487774	0.83	1.17	NA	NA
N,N-dimethylalanine	ME487760	0.90	1.10	NA	NA
8-hydroxyoctanoate	ME486786	0.90	1.10	NA	NA
mannose	ME486814	0.90	1.10	NA	NA
2-isopropylmalate	ME487634	0.88	1.12	NA	NA
7-ketodeoxycholate	ME487657	0.89	1.11	NA	NA
equol	ME487581	0.89	1.11	NA	NA
4-methylthio-2-oxobutanoate	ME486728	0.96	1.04	NA	NA
branched chain 14:0 dicarboxylic acid**	ME487192	0.97	1.03	NA	NA
3-(3-hydroxyphenyl)propionate	ME487765	0.92	1.08	NA	NA
2-hydroxyhippurate (salicylurate)	ME486693	0.94	1.06	NA	NA
phenylacetate	ME486736	0.94	1.06	NA	NA
3-(3-hydroxyphenyl)propionate sulfate	ME487185	0.97	1.06	NA	0.96
adipate (C6-DC)	ME486787	1.27	0.87	NA	0.86
glyco-beta-muricholate**	ME486841	1.21	1.34	NA	0.45
beta-hydroxyisovaleroylcarnitine	ME486819	1.14	1.20	NA	0.66
fructose	ME487142	1.32	1.12	NA	0.56
homocysteine	ME486922	1.64	0.99	NA	0.38
N-monomethylarginine	ME487206	1.47	0.92	NA	0.61
kynurenate	ME487114	1.73	1.85	0.21	0.20
ferulate	ME487584	1.71	1.93	0.20	0.15
inosine	ME487734	1.65	1.97	0.21	0.17
N-methylproline	ME487678	1.85	2.08	0.02	0.04
N,N-dimethylvaline	ME487618	1.82	1.98	0.09	0.11
1-pentadecanoylglycerol (15:0)	ME487082	1.45	1.98	0.26	0.32
beta-hydroxyisovalerate	ME487212	1.42	2.08	0.21	0.29
methylmalonate (MMA)	ME487335	1.52	2.05	0.19	0.23
3-methyl-2-oxobutyrate	ME487187	1.54	2.01	0.26	0.19
4-imidazoleacetate	ME487405	1.59	1.98	0.28	0.16
ribose	ME487170	1.36	2.18	0.13	0.33
N,N-dimethyl-5-aminovalerate	ME487466	1.36	2.15	0.21	0.27
propionylcarnitine (C3)	ME487433	1.34	2.17	0.18	0.31
glycerate	ME487740	1.28	2.09	0.31	0.32
sulfate*	ME487677	1.28	2.17	0.27	0.28
N-carboxymethylalanine	ME487293	1.34	2.25	0.26	0.16
lactobionate	ME487718	1.47	2.21	0.16	0.16
N-acetyl-cadaverine	ME487612	1.41	2.14	0.29	0.16
thymidine	ME487395	1.49	2.11	0.27	0.13
citrulline	ME487759	1.30	2.57	0.06	0.07
N-acetylhistamine	ME487600	1.33	2.53	0.07	0.07
glycerophosphoserine*	ME487175	1.36	2.43	0.08	0.13
tricarballylate	ME487262	1.43	2.37	0.09	0.11
cytidine	ME487686	1.58	2.15	0.16	0.11
deoxycarnitine	ME487753	1.68	2.15	0.10	0.07
imidazole propionate	ME487780	1.64	2.31	0.02	0.02
5-aminovalerate	ME487771	1.62	2.27	0.06	0.05
uridine	ME487671	1.61	2.26	0.08	0.04
3-(4-hydroxyphenyl)propionate	ME487688	1.56	2.43	0.00	0.00
formiminoglutamate	ME487481	1.53	2.38	0.04	0.04
1-methylurate	ME487200	0.84	2.22	0.59	0.35
glutarylcarnitine (C5-DC)	ME487286	0.81	2.15	0.69	0.35
N-delta-acetylornithine	ME486983	0.81	2.11	0.56	0.52
sphinganine	ME487526	0.88	1.98	0.63	0.52
1-methyl-4-imidazoleacetate	ME487193	0.94	1.96	0.52	0.57
nicotianamine	ME487748	0.93	1.95	0.58	0.53
3-hydroxypalmitate	ME487216	1.19	2.05	0.28	0.47
sebacate (C10-DC)	ME487022	1.12	2.00	0.34	0.53
fumarate	ME487575	1.07	2.31	0.37	0.25
gluconate	ME487572	1.02	2.28	0.38	0.33
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)*	ME487211	1.18	2.20	0.32	0.29
phenylpyruvate	ME487011	1.14	2.15	0.33	0.38
dodecenedioate (C12:1-DC)*	ME487068	0.88	2.26	0.40	0.46
2^-deoxyuridine	ME486950	1.01	2.14	0.53	0.32
4-hydroxyphenylpyruvate	ME487157	0.98	2.11	0.44	0.47
pyridoxate	ME487692	1.04	2.13	0.40	0.44
acetylcarnitine (C2)	ME487558	1.04	1.81	0.31	0.84
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	ME487083	1.19	1.90	0.64	0.27
picolinate	ME487281	1.24	1.83	0.59	0.34
2^-deoxyinosine	ME486944	1.06	2.00	0.47	0.48
adipoylcarnitine (C6-DC)	ME487317	1.10	1.91	0.50	0.49
3-hydroxysuberate	ME486955	1.06	1.88	0.59	0.47
pentadecanoate (15:0)	ME487703	1.12	1.94	0.55	0.39
4-methyl-2-oxopentanoate	ME487550	1.35	1.86	0.33	0.45
equol sulfate	ME487169	1.28	1.93	0.31	0.48
2^-deoxycytidine	ME487320	1.45	1.89	0.25	0.41
3-methyl-2-oxovalerate	ME487476	1.42	1.89	0.32	0.37
guanosine	ME487684	1.39	1.90	0.37	0.34
3-formylindole	ME487432	1.41	1.66	0.55	0.38
octadecanedioate (C18-DC)	ME486901	1.33	1.75	0.57	0.35
3-indoleglyoxylic acid	ME486858	1.28	1.90	0.44	0.38
azelate (C9-DC)	ME487396	1.24	1.85	0.44	0.46
suberate (C8-DC)	ME487038	1.40	1.74	0.40	0.46
cytosine	ME487196	1.36	1.79	0.45	0.39
oxindolylalanine	ME487350	1.36	1.77	0.43	0.44
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	ME487573	1.36	1.85	0.45	0.34
xanthosine	ME487168	1.42	1.78	0.47	0.33
genistein	ME487750	1.11	1.62	0.59	0.68
glutamate	ME487801	1.28	1.64	0.46	0.62
carboxymethylproline	ME487451	1.31	1.53	0.54	0.63
hydroxymethylpyrimidine	ME487104	1.31	1.53	0.53	0.63
serotonin	ME487076	1.14	1.75	0.59	0.52
2-hydroxysebacate	ME487406	1.18	1.81	0.53	0.48
pantothenate	ME487652	1.20	1.78	0.48	0.54
N-formylphenylalanine	ME486967	1.33	1.61	0.53	0.53
undecanedioate (C11-DC)	ME486915	1.25	1.71	0.58	0.46
7-methylguanine	ME487171	1.33	1.69	0.50	0.47
ectoine	ME487304	1.28	1.69	0.49	0.54
hexadecenedioate (C16:1-DC)*	ME486854	1.27	1.70	0.53	0.51
5-hydroxyindoleacetate	ME486804	0.73	1.72	NA	0.55
phenol sulfate	ME486734	0.73	1.87	NA	0.40
pantetheine	ME487023	1.05	1.53	0.41	NA
nicotinamide	ME487714	1.44	1.48	NA	0.08
catechol sulfate	ME487017	1.21	1.60	NA	0.19
octadecadienedioate (C18:2-DC)*	ME486789	1.28	1.56	NA	0.16
N-methyl-GABA	ME487601	0.99	1.79	NA	0.22
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	ME487087	1.17	1.66	0.18	NA
N-acetylmuramate	ME487190	1.23	1.68	0.08	NA
5-methyluridine (ribothymidine)	ME486853	0.96	1.88	0.16	NA
3-ketosphinganine	ME487151	1.06	1.84	0.10	NA
pyridoxal	ME487506	1.12	1.83	0.04	NA
uracil	ME487508	0.72	1.97	0.82	0.49
2^-deoxyadenosine	ME487069	0.50	2.03	0.93	0.54
docosapentaenoate (n3 DPA; 22:5n3)	ME487510	0.55	2.01	0.90	0.54
quinolinate	ME487051	0.29	2.51	0.60	0.60
vitamin D3 sulfate	ME486801	0.42	2.32	0.84	0.42
spermidine	ME487681	0.50	2.52	0.59	0.40
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	ME487029	0.66	2.34	0.68	0.32
tartronate (hydroxymalonate)	ME486934	0.64	2.34	0.53	0.49
(S)-3-hydroxybutyrylcarnitine	ME486982	0.84	2.09	NA	0.07
5,6-dihydrouridine	ME486904	0.47	2.50	0.04	NA
deoxycholate	ME487691	0.64	2.36	0.00	NA
6-oxopiperidine-2-carboxylate	ME487360	0.85	2.89	0.14	0.12
(12 or 13)-methylmyristate (a15:0 or i15:0)	ME487737	1.01	2.89	0.05	0.06
1-methyl-5-imidazolelactate	ME487602	0.89	2.99	0.06	0.06
glycerol 3-phosphate	ME487345	0.91	2.96	0.06	0.07
choline phosphate	ME487646	0.93	3.06	0.00	0.01
cytidine 5^-monophosphate (5^-CMP)	ME487369	0.88	3.07	0.02	0.03
1-methyl-5-imidazoleacetate	ME487501	0.87	2.76	0.17	0.20
1-methylnicotinamide	ME487676	0.93	2.66	0.21	0.20
erythritol	ME487096	1.15	2.45	0.24	0.16
6-hydroxydaidzein	ME487521	1.07	2.62	0.15	0.15
xanthurenate	ME487390	1.03	2.54	0.23	0.20
N-acetylaspartate (NAA)	ME487519	0.80	2.52	0.41	0.26
tyramine	ME487382	0.62	2.82	0.24	0.32
1-palmitoyl-GPA (16:0)	ME486903	0.68	2.72	0.34	0.26
N-carbamoylputrescine	ME487598	0.75	2.71	0.30	0.25
4-hydroxycinnamate	ME487461	0.44	3.22	0.17	0.17
inositol hexakisphosphate	ME487037	0.05	3.08	0.71	0.16
phosphate	ME487733	0.12	2.88	0.49	0.50
2-hydroxylignocerate*	ME486812	NA	0.98	1.02	NA
hexadecasphingosine (d16:1)*	ME486764	NA	0.77	1.23	NA
N-linoleoylglycine	ME486706	NA	0.83	1.17	NA
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	ME487084	0.83	1.31	0.85	NA
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	ME486860	0.61	1.15	1.24	NA
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	ME486885	0.76	1.12	1.12	NA
cis-4-decenoate (10:1n6)*	ME486857	NA	1.02	0.75	1.23
indole-3-carboxylate	ME486735	1.12	NA	0.61	1.27
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	ME486952	1.61	NA	0.78	0.62
2-hydroxyphenylacetate	ME486869	1.17	NA	0.91	0.93
5,6-dihydrothymine	ME487046	1.34	NA	1.03	0.63
naringenin	ME487305	1.27	0.60	1.51	0.62
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	ME486889	1.33	0.76	1.31	0.60
biliverdin	ME486972	1.47	0.65	1.34	0.54
3-hydroxybutyrate (BHBA)	ME487107	1.73	0.72	1.14	0.41
bilirubin (Z,Z)	ME487438	1.80	0.71	0.95	0.55
N-butyryl-leucine	ME486713	1.68	0.63	0.74	0.95
soyasaponin III	ME487555	1.71	0.53	0.90	0.86
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*	ME487229	1.58	0.53	1.06	0.83
vanillactate	ME486808	1.44	0.62	1.07	0.86
pantoate	ME487424	1.50	0.75	0.96	0.79
alpha-tocopherol acetate	ME487617	1.64	0.68	0.94	0.74
bilirubin (E,E)*	ME486888	1.65	0.64	0.93	0.78
1-palmitoyl-GPG (16:0)*	ME487189	1.48	0.87	1.10	0.55
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	ME487265	1.51	0.84	1.17	0.47
N-acetylcitrulline	ME487100	1.46	0.88	0.97	0.70
palmitoylcholine	ME486929	1.34	0.89	0.97	0.80
citraconate/glutaconate	ME487556	1.88	0.32	0.86	0.94
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*	ME487133	1.92	0.31	0.75	1.02
1-oleoylglycerol (18:1)	ME487705	2.10	0.49	0.70	0.71
1-linolenoylglycerol (18:3)	ME487329	1.99	0.44	0.83	0.74
1-linoleoylglycerol (18:2)	ME487742	2.04	0.43	0.82	0.70
1-methylhypoxanthine	ME487544	1.72	0.75	0.46	1.07
5-hydroxylysine	ME487543	1.54	0.23	0.80	1.43
2,3-dihydroxy-3-methylvalerate	ME487259	1.74	0.42	0.71	1.13
1-oleoyl-GPI (18:1)	ME486767	1.51	0.51	0.87	1.10
ribitol	ME486866	1.57	0.55	0.70	1.18
1-methylguanidine	ME487092	0.72	1.26	0.82	1.19
N1-Methyl-4-pyridone-3-carboxamide	ME487426	0.64	1.27	0.98	1.11
citrate	ME487741	0.64	1.51	0.85	1.00
trans-urocanate	ME487729	0.66	1.43	0.89	1.02
aconitate [cis or trans]	ME487295	0.64	1.49	0.98	0.90
oxalate (ethanedioate)	ME487375	0.57	1.45	1.11	0.87
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	ME487370	0.95	1.81	0.74	0.49
eicosenoylcarnitine (C20:1)*	ME486802	0.98	1.77	0.87	0.38
adenosine	ME487393	1.07	1.76	0.71	0.46
3-hydroxydecanoate	ME486960	1.09	1.67	0.73	0.50
aspartate	ME487782	1.10	1.68	0.73	0.49
4-cholesten-3-one	ME487449	1.12	1.73	0.70	0.45
carnitine	ME487708	1.12	1.69	0.72	0.46
3-hydroxydodecanedioate*	ME486894	0.96	1.74	0.67	0.63
stachydrine	ME487597	1.00	1.66	0.74	0.60
alpha-tocopherol	ME487751	1.15	1.52	0.75	0.58
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	ME487226	1.08	1.54	0.84	0.54
S-1-pyrroline-5-carboxylate	ME487254	1.06	1.52	0.93	0.49
hypoxanthine	ME487766	0.95	1.57	0.95	0.52
protoporphyrin IX	ME487244	0.89	1.65	0.99	0.48
nicotinate	ME487468	0.89	1.67	0.87	0.58
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	ME487361	0.89	1.58	0.86	0.67
succinylcarnitine (C4-DC)	ME487344	0.86	1.63	0.84	0.67
2-methylcitrate/homocitrate	ME487031	0.95	1.49	0.79	0.78
N1-Methyl-2-pyridone-5-carboxamide	ME487341	0.95	1.54	0.71	0.81
5-oxoproline	ME487622	0.93	1.54	0.62	0.90
phenylacetylglycine	ME486770	1.02	1.57	0.54	0.87
cis-urocanate	ME487243	0.82	1.79	0.55	0.83
phenethylamine	ME487062	0.71	1.61	0.69	0.99
glycine	ME487693	1.12	1.21	0.73	0.93
o-Tyrosine	ME487027	1.09	1.24	0.62	1.05
1,2-dilinoleoyl-GPE (18:2/18:2)*	ME487094	1.21	1.31	0.55	0.93
dodecanedioate (C12-DC)	ME486890	1.22	1.42	0.51	0.85
histidine	ME487690	1.11	1.42	0.63	0.84
ornithine	ME487631	1.01	1.36	0.68	0.95
trigonelline (N^-methylnicotinate)	ME487452	0.88	1.33	0.93	0.85
eicosapentaenoate (EPA; 20:5n3)	ME487756	0.79	1.29	1.00	0.92
N-palmitoyl-sphingadienine (d18:2/16:0)*	ME487099	0.83	1.27	0.96	0.94
guanine	ME487725	0.87	1.41	0.92	0.80
heneicosapentaenoate (21:5n3)	ME487208	0.92	1.43	0.92	0.74
linoleate (18:2n6)	ME487808	1.00	1.35	0.95	0.70
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	ME486883	0.99	1.43	0.86	0.72
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	ME487613	0.99	1.38	0.89	0.74
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	ME487139	0.96	1.37	0.91	0.77
N-acetyl-isoputreanine	ME487547	1.11	1.36	0.87	0.65
stearoyl ethanolamide	ME487203	1.11	1.38	0.79	0.72
carboxyethyl-GABA	ME487744	1.10	1.38	0.82	0.70
myristate (14:0)	ME487758	1.13	1.38	0.81	0.68
linolenate [alpha or gamma; (18:3n3 or 6)]	ME487794	1.08	1.24	0.86	0.82
N6-carboxyethyllysine	ME487709	1.09	1.23	0.82	0.86
N6-carboxymethyllysine	ME487668	1.04	1.31	0.87	0.78
hexadecatrienoate (16:3n3)	ME487591	1.06	1.35	0.78	0.81
S-(3-hydroxypropyl)mercapturic acid (HPMA)	ME487041	1.11	1.29	0.79	0.81
phenyllactate (PLA)	ME487025	1.63	1.30	0.90	0.17
1-heptadecenoylglycerol (17:1)*	ME486776	1.32	0.95	0.73	NA
alpha-CEHC sulfate	ME486721	1.41	1.03	0.57	NA
1-dihomo-linolenylglycerol (20:3)	ME486773	1.21	1.34	0.93	0.51
nicotinamide riboside	ME487339	1.31	1.15	0.91	0.62
diacetylspermidine*	ME487640	1.13	1.21	1.15	0.51
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	ME487357	1.31	1.14	1.08	0.47
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	ME487235	1.39	1.16	1.07	0.38
apigenin	ME487478	1.70	1.13	0.70	0.47
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	ME486947	1.68	1.11	0.67	0.54
diethanolamine	ME487309	1.68	1.11	0.70	0.51
3,4-dihydroxybutyrate	ME487207	1.84	1.12	0.60	0.44
pinosylvin monomethylether	ME486926	1.75	1.18	0.66	0.42
2R,3R-dihydroxybutyrate	ME487066	1.63	0.93	0.62	0.82
oleoylcholine	ME486896	1.54	0.87	0.76	0.83
2-oleoylglycerol (18:1)	ME487527	1.85	0.84	0.68	0.64
phenylalanylalanine	ME487294	1.79	0.85	0.75	0.61
N-formylanthranilic acid	ME486995	1.66	1.02	0.70	0.62
benzoate	ME487459	1.68	0.90	0.80	0.62
triethanolamine	ME487505	1.62	0.95	0.82	0.60
dehydrophytosphingosine*	ME487261	1.33	1.26	0.71	0.70
dihydroorotate	ME486762	1.40	1.21	0.66	0.73
glutamine	ME487790	1.39	1.21	0.57	0.82
lysine	ME487795	1.38	1.31	0.54	0.77
13-HODE + 9-HODE	ME487731	1.32	1.32	0.62	0.74
isoleucine	ME487805	1.37	1.30	0.61	0.72
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	ME487280	1.37	1.38	0.71	0.54
glycerol	ME487553	1.35	1.35	0.67	0.64
dimethylglycine	ME487044	1.35	1.42	0.60	0.62
homoserine	ME487077	1.37	1.43	0.61	0.59
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	ME487302	1.26	1.44	0.69	0.61
octadecenedioate (C18:1-DC)	ME487273	1.24	1.36	0.78	0.63
palmitoleate (16:1n7)	ME487775	1.28	1.32	0.74	0.66
caproate (6:0)	ME487363	1.62	1.33	0.57	0.48
phenylalanine	ME487802	1.55	1.34	0.51	0.59
N-formylmethionine	ME487333	1.50	1.44	0.53	0.52
alanine	ME487787	1.57	1.40	0.47	0.56
tryptophan	ME487783	1.54	1.43	0.48	0.56
N-acetyl-beta-glucosaminylamine	ME487427	1.57	1.45	0.45	0.53
methionine	ME487797	1.58	1.43	0.48	0.51
tyrosine	ME487781	1.60	1.43	0.46	0.50
2-hydroxybutyrate/2-hydroxyisobutyrate	ME487166	1.53	1.26	0.76	0.45
alpha-ketoglutarate	ME487277	1.46	1.36	0.64	0.54
2-keto-3-deoxy-gluconate	ME487416	1.46	1.33	0.71	0.49
pyridoxamine	ME487430	1.50	1.37	0.70	0.43
leucine	ME487806	1.46	1.32	0.58	0.64
valine	ME487798	1.48	1.30	0.57	0.65
N-alpha-acetylornithine	ME487386	1.56	1.14	0.66	0.64
octadecanedioylcarnitine (C18-DC)*	ME487275	1.57	1.23	0.67	0.53
9,10-DiHOME	ME487323	1.52	1.25	0.66	0.57
hexadecanedioate (C16-DC)	ME487026	1.52	1.25	0.67	0.56
2,4-dihydroxybutyrate	ME487250	1.33	1.06	0.75	0.86
kynurenine	ME487013	1.41	1.00	0.75	0.84
12,13-DiHOME	ME487419	1.32	1.08	0.64	0.96
arginine	ME487803	1.44	1.05	0.58	0.93
hypotaurine	ME486881	1.52	1.17	0.49	0.81
N1-methylinosine	ME486908	1.59	1.10	0.35	0.96
pyrraline	ME487155	0.71	0.67	0.93	1.69
caprate (10:0)	ME487536	0.77	0.68	1.01	1.55
N-acetylglucosaminylasparagine	ME487255	0.74	0.59	1.09	1.59
acetylagmatine	ME487204	0.97	0.42	1.02	1.60
allantoin	ME487033	1.13	0.48	1.04	1.35
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	ME486918	1.17	0.43	0.88	1.52
1,2-dilinoleoyl-GPC (18:2/18:2)	ME487511	1.04	0.58	0.87	1.51
daidzin (daidzein 7-O-glucoside)	ME486810	1.07	0.53	0.95	1.45
(N(1) + N(8))-acetylspermidine	ME487710	1.20	0.24	1.67	0.88
1-palmitoyl-GPI (16:0)	ME487173	1.07	0.44	1.26	1.22
formononetin	ME487620	1.20	0.41	1.13	1.26
galactonate	ME487486	1.20	0.35	1.26	1.19
afromosin	ME487239	1.32	0.27	1.30	1.11
malonylgenistin	ME487437	1.44	0.35	1.19	1.02
heptanoate (7:0)	ME487132	0.93	1.03	0.52	1.53
homostachydrine*	ME487129	0.45	1.24	0.85	1.46
threonate	ME487588	0.68	1.00	0.72	1.61
5-(galactosylhydroxy)-L-lysine	ME487236	0.70	1.01	0.90	1.39
gamma-tocotrienol	ME487421	0.76	1.08	0.84	1.32
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)	ME486872	0.70	0.67	1.42	1.21
pyruvate	ME487067	0.74	0.58	1.45	1.22
N,N-dimethyl-pro-pro	ME487745	0.76	0.63	1.34	1.28
carotene diol (1)	ME487730	0.71	0.70	1.36	1.24
cysteine	ME487603	0.71	0.74	1.31	1.24
N-succinyl-phenylalanine	ME486793	0.65	0.62	1.36	1.37
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)*	ME487336	0.59	0.66	1.45	1.29
cysteinylglycine	ME487450	0.60	0.69	1.44	1.27
1-linoleoyl-GPE (18:2)*	ME487253	0.79	0.42	1.28	1.51
glucuronate	ME487457	0.91	0.49	1.30	1.30
N-acetylmethionine	ME487619	0.81	0.43	1.38	1.37
N6-formyllysine	ME487377	0.75	0.88	1.00	1.37
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	ME487130	0.60	0.97	1.12	1.31
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)*	ME486927	0.70	0.91	1.14	1.25
glutamate, gamma-methyl ester	ME487518	0.68	0.87	1.13	1.32
guanidinoacetate	ME487124	0.71	0.88	1.07	1.34
N6-acetyllysine	ME486996	0.45	0.98	1.22	1.35
tetradecadienoate (14:2)*	ME487328	0.53	0.84	1.25	1.38
thioproline	ME486845	0.51	0.87	1.36	1.26
N-acetyl-1-methylhistidine*	ME487596	0.62	0.89	1.28	1.21
alpha-tocotrienol	ME487176	0.61	0.82	1.30	1.27
palmitoleoyl ethanolamide*	ME486799	0.57	0.83	1.31	1.28
3-amino-2-piperidone	ME487148	0.92	0.81	1.09	1.18
gamma-tocopherol/beta-tocopherol	ME487743	0.90	0.90	1.10	1.09
N-acetylphenylalanine	ME487043	0.97	0.83	1.14	1.06
N,N,N-trimethyl-alanylproline betaine (TMAP)	ME487789	0.88	0.77	1.24	1.11
sphingadienine	ME487070	0.81	0.80	1.22	1.17
5-hydroxypicolinic acid	ME487685	0.80	0.83	1.14	1.23
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*	ME487342	0.76	0.90	1.22	1.12
N-acetylcysteine	ME487000	0.77	0.95	1.11	1.17
1-methylguanine	ME486805	0.81	0.91	1.12	1.15
cyclo(his-pro) (D,L)*	ME486905	0.82	0.88	1.15	1.15
octadecenedioylcarnitine (C18:1-DC)*	ME487658	0.89	1.03	1.07	1.00
stigmasterol	ME487112	0.87	0.93	1.24	0.96
beta-sitosterol	ME487585	0.93	0.98	1.15	0.94
N-acetylneuraminate	ME487548	0.92	1.03	1.19	0.87
vanillin	ME487113	0.77	1.17	1.15	0.91
3-hydroxysebacate	ME486811	0.69	1.16	1.09	1.05
dodecadienoate (12:2)*	ME486825	0.71	1.22	1.09	0.98
glycerophosphoinositol*	ME487198	0.83	1.05	1.01	1.11
N-stearoyl-sphinganine (d18:0/18:0)*	ME486912	0.76	1.02	1.04	1.18
N2,N6-diacetyllysine	ME486880	0.70	1.00	1.27	1.04
1-palmitoyl-GPE (16:0)	ME487497	0.71	1.09	1.16	1.04
campesterol	ME487440	0.77	1.00	1.18	1.05
N2-acetyllysine	ME487163	0.76	0.98	1.16	1.09
palmitoyl ethanolamide	ME487315	1.01	1.15	0.96	0.87
stearidonate (18:4n3)	ME487644	1.03	1.18	0.88	0.91
anthranilate	ME487056	0.96	1.17	1.09	0.78
5-methylcytosine	ME487063	1.00	1.12	1.05	0.84
gamma-glutamylserine	ME487183	0.98	1.09	1.07	0.87
stigmastadienone	ME487604	0.96	1.08	1.07	0.89
2-hydroxydecanoate	ME486791	0.94	1.13	1.01	0.92
malate	ME487661	0.98	1.07	0.99	0.97
isobutyrylglycine	ME486873	1.13	1.12	0.99	0.76
isovalerylglycine	ME487006	1.16	1.19	0.91	0.74
1-methyl-beta-carboline-3-carboxylic acid	ME486758	1.11	1.02	0.99	0.87
erythronate*	ME487605	1.14	0.99	0.97	0.91
oleoyl ethanolamide	ME487394	1.18	1.00	0.95	0.87
eicosenedioate (C20:1-DC)*	ME486806	1.10	1.12	0.86	0.92
3-sulfo-L-alanine	ME486979	1.18	1.09	0.85	0.89
hexadecadienoate (16:2n6)	ME487647	1.14	1.07	0.84	0.94
N-acetyl-beta-alanine	ME486899	1.10	0.95	0.76	1.19
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	ME486750	1.19	0.82	0.83	1.16
N-acetylhomocitrulline	ME486939	1.11	0.85	0.84	1.20
N-acetylproline	ME487562	1.02	0.89	1.01	1.08
N-acetyltyrosine	ME486847	1.04	0.92	1.00	1.04
fructosyllysine	ME487739	1.00	1.00	0.91	1.09
(S)-a-amino-omega-caprolactam	ME487153	1.03	0.95	0.95	1.08
2-piperidinone	ME487308	0.88	1.21	0.87	1.04
cysteine sulfinic acid	ME486817	1.00	1.07	0.83	1.10
heptadecatrienoate (17:3)*	ME486946	0.93	1.09	0.88	1.10
delta-tocopherol	ME487579	0.91	1.05	0.92	1.13
N6-methyllysine	ME487418	0.91	1.04	0.91	1.14
fucosterol	ME487177	0.93	0.81	1.30	0.95
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)*	ME486867	0.88	0.71	1.37	1.04
ergothioneine	ME487042	0.92	0.63	1.35	1.10
betaine	ME487746	0.99	0.67	1.38	0.96
N-acetylvaline	ME487075	1.02	0.67	1.27	1.05
N-acetylleucine	ME487058	1.20	0.86	1.05	0.89
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	ME487494	1.11	0.90	1.11	0.88
bilirubin degradation product, C16H18N2O5 (4)**	ME486761	1.09	0.92	1.17	0.82
biochanin A	ME487537	1.14	0.66	1.24	0.97
thymine	ME487191	1.14	0.74	1.36	0.76
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	ME487675	1.07	0.85	1.25	0.84
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	ME487266	1.07	0.72	1.30	0.91
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	ME486971	1.10	0.75	1.28	0.87
succinate	ME487769	1.23	0.58	1.05	1.14
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	ME487580	1.12	0.72	1.03	1.13
dimethylarginine (SDMA + ADMA)	ME487702	1.19	0.68	1.07	1.06
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	ME486818	1.32	0.75	0.77	1.16
N-acetylmethionine sulfoxide	ME487474	1.33	0.76	0.81	1.10
glycerophosphorylcholine (GPC)	ME487628	1.37	0.77	0.89	0.98
tyrosylglycine	ME486877	1.47	0.71	0.90	0.93
methylphosphate	ME487472	0.64	1.84	1.19	0.34
margaroylcarnitine (C17)*	ME486832	0.77	1.60	1.28	0.35
riboflavin (Vitamin B2)	ME487097	0.97	1.47	1.26	0.29
2-hydroxynervonate*	ME487402	0.52	1.39	1.50	0.59
dihomo-linolenate (20:3n3 or n6)	ME487586	0.42	1.52	1.45	0.61
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	ME486943	0.60	1.23	1.52	0.65
2-hydroxybehenate	ME487436	0.42	1.31	1.65	0.62
docosadienoate (22:2n6)	ME487061	0.43	1.26	1.54	0.77
docosapentaenoate (n6 DPA; 22:5n6)	ME487311	0.37	1.26	1.64	0.73
1-(1-enyl-stearoyl)-GPE (P-18:0)*	ME487296	0.34	1.29	1.39	0.99
docosahexaenoate (DHA; 22:6n3)	ME487706	0.53	1.21	1.40	0.86
cholesterol sulfate	ME487464	0.61	1.08	1.34	0.97
malonylcarnitine	ME487081	0.65	1.15	1.27	0.93
arachidonate (20:4n6)	ME487738	0.52	1.68	1.19	0.61
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	ME487090	0.65	1.53	1.12	0.70
oleate/vaccenate (18:1)	ME487804	0.64	1.53	1.20	0.63
linolenoyl ethanolamide	ME487007	0.69	1.46	1.28	0.57
10-heptadecenoate (17:1n7)	ME487587	0.72	1.30	1.33	0.64
dihomo-linoleate (20:2n6)	ME487509	0.63	1.36	1.36	0.65
1,2-dipalmitoyl-GPC (16:0/16:0)	ME487410	0.83	1.40	1.14	0.63
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))	ME487086	0.70	1.29	1.16	0.85
10-nonadecenoate (19:1n9)	ME487365	0.73	1.36	1.16	0.75
argininosuccinate	ME487387	0.73	1.35	1.18	0.73
glutamine_degradant*	ME487219	0.93	1.30	1.28	0.49
phytosphingosine	ME487495	0.92	1.21	1.20	0.67
5-methyl-2^-deoxycytidine	ME487269	0.77	1.07	1.40	0.76
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	ME486974	0.79	1.00	1.46	0.75
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	ME486954	0.84	1.13	1.34	0.69
1-arachidonylglycerol (20:4)	ME486821	0.85	1.15	1.42	0.58
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	ME487444	0.76	1.15	1.47	0.63
3-(4-hydroxyphenyl)lactate	ME486953	1.01	0.90	1.43	0.67
1-myristoylglycerol (14:0)	ME487278	0.98	1.07	1.28	0.67
2^-O-methylcytidine	ME486976	0.94	1.05	1.40	0.62
2-pyrrolidineacetic acid	ME487398	NA	1.59	0.74	0.67
3-indoxyl sulfate	ME486833	0.22	1.70	0.96	1.11
feruloylputrescine	ME487460	0.16	1.59	1.23	1.01
2^-deoxyguanosine	ME487004	0.33	1.79	1.19	0.69
nisinate (24:6n3)	ME486868	0.26	1.66	1.54	0.54

Factors:

F1	SAMPLE_DESCRIPTION:Mouse; cecal post D Glucaro 1,4 lactone Female
F2	SAMPLE_DESCRIPTION:Mouse; cecal post D Glucaro 1,4 lactone Female Control
F3	SAMPLE_DESCRIPTION:Mouse; Control mono E. coli Cecum
F4	SAMPLE_DESCRIPTION:Mouse; GUS+ mono E. coli Cecum

Data matrix