Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002018)

(Analysis AN003288)

Metabolite	Structure	F1	F2
O-sulfo-L-tyrosine	ME467149	1.47	0.33
benzoate	ME466793	1.49	0.31
guanidinoacetate	ME466948	1.48	0.31
5-hydroxy-2-indolecarboxylic acid	ME466734	1.48	0.32
alpha-tocopherol acetate	ME466768	1.48	0.32
saccharopine	ME467220	1.46	0.35
phenylacetylglutamate	ME467173	1.45	0.37
allantoin	ME466761	1.43	0.38
N2,N5-diacetylornithine	ME467052	1.43	0.38
picolinate	ME467187	1.37	0.48
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*	ME466559	1.37	0.48
N-palmitoyltaurine	ME467129	1.37	0.48
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*	ME467160	1.36	0.48
ribonate	ME467214	1.36	0.48
3-hydroxyphenylacetate sulfate	ME466686	1.35	0.50
deoxycholic acid sulfate	ME466853	1.36	0.50
N-stearoyltaurine	ME467134	1.40	0.44
1-methylnicotinamide	ME466595	1.40	0.43
N-oleoyltaurine	ME467123	1.40	0.43
2-aminoadipate	ME466627	1.39	0.44
N-methylphenylalanine	ME467118	1.39	0.44
salicylate	ME467221	1.39	0.45
guanidinosuccinate	ME466949	1.39	0.45
N-acetyltaurine	ME467094	1.39	0.45
sarcosine	ME467222	1.41	0.42
N1-Methyl-4-pyridone-3-carboxamide	ME467051	1.42	0.41
1-methylhistidine	ME466593	1.42	0.40
chiro-inositol	ME466826	1.42	0.40
3-hydroxyhippurate	ME466679	1.67	0.06
hippurate	ME466961	1.70	0.01
phenylacetylglutamine	ME467174	1.70	0.01
3-methylglutarylcarnitine (2)	ME466697	1.61	0.14
N-methylhydantoin	ME467117	1.60	0.14
caprylate (8:0)	ME466812	1.52	0.26
laurate (12:0)	ME467000	1.54	0.23
4-hydroxyhippurate	ME466709	1.55	0.22
caprate (10:0)	ME466810	1.55	0.21
2-hydroxyhippurate (salicylurate)	ME466643	1.58	0.18
N-acetyl-S-allyl-L-cysteine	ME467090	1.57	0.20
creatinine	ME466837	1.29	0.58
tyramine O-sulfate	ME467294	1.29	0.59
16a-hydroxy DHEA 3-sulfate	ME466574	1.29	0.59
1-linoleoylglycerol (18:2)	ME466585	1.29	0.59
threonate	ME467279	1.31	0.56
3-hydroxyphenylacetate	ME466685	1.31	0.56
N-acetylcarnosine	ME467071	1.31	0.56
indoleacrylate	ME466977	1.31	0.57
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	ME467161	1.31	0.57
taurodeoxycholate	ME467271	1.30	0.58
taurolithocholate	ME467272	1.30	0.57
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*	ME467018	1.30	0.57
diacylglycerol (14:0/18:1, 16:0/16:1) [1]*	ME466855	1.30	0.57
5alpha-pregnan-3(alpha or beta),20beta-diol disulfate	ME466727	1.30	0.57
citrate	ME466832	1.30	0.57
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)*	ME466604	1.32	0.55
3-(2-hydroxyphenyl)propionate	ME466660	1.32	0.55
imidazole lactate	ME466972	1.32	0.54
p-cresol sulfate	ME467168	1.32	0.54
phenol sulfate	ME467171	1.33	0.53
aconitate [cis or trans]	ME466753	1.33	0.53
hydantoin-5-propionic acid	ME466968	1.33	0.53
3-hydroxy-2-ethylpropionate	ME466674	1.34	0.51
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*	ME467011	1.34	0.52
3-methyladipate	ME466694	1.34	0.52
acisoga	ME466752	1.34	0.52
tricarballylate	ME467286	1.24	0.66
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	ME467143	1.24	0.66
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*	ME467142	1.24	0.66
myristate (14:0)	ME467045	1.24	0.66
hexanoylglycine	ME466960	1.24	0.66
4-methylthio-2-oxobutanoate	ME466715	1.24	0.66
adipate	ME466756	1.24	0.66
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]*	ME466854	1.22	0.68
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	ME466856	1.22	0.68
sphingomyelin (d18:1/19:0, d19:1/18:0)*	ME467242	1.22	0.69
indole-3-carboxylic acid	ME466975	1.22	0.69
N-acetylserotonin	ME467092	1.22	0.69
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	ME466996	1.23	0.68
N6-carbamoylthreonyladenosine	ME467056	1.23	0.68
vanillate	ME467315	1.23	0.67
sphingomyelin (d18:1/24:1, d18:2/24:0)*	ME467247	1.23	0.67
N-carbamoylalanine	ME467102	1.23	0.67
oleanolate	ME467137	1.23	0.67
3-sulfo-L-alanine	ME466701	1.26	0.62
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	ME467162	1.26	0.63
13-HODE + 9-HODE	ME466572	1.26	0.63
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	ME467017	1.26	0.63
5alpha-pregnan-3beta,20alpha-diol disulfate	ME466728	1.26	0.64
N-acetylserine	ME467091	1.25	0.64
N-acetylglucosaminylasparagine	ME467074	1.25	0.64
ferulate	ME466887	1.25	0.64
galactonate	ME466896	1.25	0.64
secoisolariciresinol diglucoside	ME467226	1.27	0.62
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*	ME467015	1.27	0.62
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*	ME466560	1.27	0.62
cysteine s-sulfate	ME466840	1.27	0.62
ergosterol	ME466881	1.27	0.61
acesulfame	ME466750	1.27	0.61
2-oxoarginine*	ME466657	1.27	0.61
3-aminoisobutyrate	ME466668	1.27	0.61
4-hydroxybenzoate	ME466706	1.28	0.61
pyroglutamine*	ME467206	1.28	0.60
dihydroorotate	ME466864	1.28	0.60
3-hydroxyisobutyrate	ME466680	1.28	0.60
4-hydroxycyclohexylcarboxylic acid	ME466708	1.28	0.60
2-linoleoylglycerol (18:2)	ME466651	1.20	0.71
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	ME467245	1.20	0.71
tartarate	ME467266	1.20	0.72
succinylcarnitine (C4-DC)	ME467261	1.20	0.72
S-methylcysteine	ME467233	1.20	0.72
N-methylpipecolate	ME467119	1.20	0.72
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	ME467016	1.20	0.72
homoarginine	ME466964	1.20	0.72
erythronate*	ME466884	1.20	0.72
3-methyl-2-oxobutyrate	ME466692	1.20	0.72
3-carboxyadipate	ME466672	1.20	0.72
2-oxindole-3-acetate	ME466656	1.20	0.72
3-(3-hydroxyphenyl)propionate sulfate	ME466662	1.20	0.72
trigonelline (N^-methylnicotinate)	ME467287	1.21	0.70
linolenate [alpha or gamma; (18:3n3 or 6)]	ME467010	1.21	0.70
behenoyl sphingomyelin (d18:1/22:0)*	ME466791	1.21	0.70
3-indoxyl sulfate	ME466690	1.21	0.70
androstenediol (3beta,17beta) monosulfate (2)	ME466775	1.21	0.70
N-acetylasparagine	ME467065	1.21	0.71
alpha-ketoglutarate	ME466766	1.21	0.71
hesperidin	ME466956	1.21	0.71
sphingomyelin (d18:1/14:0, d16:1/16:0)*	ME467240	1.17	0.75
sphingomyelin (d18:1/20:1, d18:2/20:0)*	ME467244	1.17	0.76
prolylglycine	ME467196	1.17	0.76
phenylpyruvate	ME467182	1.17	0.76
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	ME467144	1.17	0.76
N-acetyl-aspartyl-glutamate (NAAG)	ME467067	1.17	0.76
N-acetylaspartate (NAA)	ME467066	1.17	0.76
N-acetylarginine	ME467064	1.17	0.76
linoleate (18:2n6)	ME467009	1.17	0.76
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	ME466997	1.17	0.76
gamma-glutamylmethionine	ME466910	1.17	0.76
3-methylxanthine	ME466699	1.17	0.76
4-acetamidobutanoate	ME466703	1.17	0.76
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	ME467246	1.19	0.73
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*	ME467145	1.19	0.73
indole	ME466974	1.19	0.73
ethylmalonate	ME466886	1.19	0.73
1,3-propanediol	ME466564	1.19	0.73
5alpha-pregnan-3beta,20beta-diol monosulfate (1)	ME466731	1.19	0.73
cystine	ME466843	1.19	0.74
gamma-glutamylglutamine	ME466905	1.19	0.74
taurine	ME467267	1.18	0.75
nicotianamine	ME467109	1.18	0.75
kynurenate	ME466992	1.18	0.75
7-methylurate	ME466746	1.18	0.75
(15:2)-anacardic acid	ME466550	1.18	0.75
3-(3-hydroxyphenyl)propionate	ME466661	1.18	0.75
sphingomyelin (d18:2/24:1, d18:1/24:2)*	ME467250	1.18	0.74
sphingomyelin (d18:2/16:0, d18:1/16:1)*	ME467248	1.18	0.74
S-methylmethionine	ME467234	1.18	0.74
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	ME467163	1.18	0.74
maltitol/lactitol/cellobiotol/palatinol	ME467026	1.18	0.74
5-(2-Hydroxyethyl)-4-methylthiazole	ME466717	1.18	0.74
4-guanidinobutanoate	ME466705	1.18	0.74
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	ME466581	1.18	0.74
2,4-dihydroxyhydrocinnamate	ME466622	1.18	0.74
1-linolenoylglycerol (18:3)	ME466580	1.14	0.81
C-glycosyltryptophan	ME466824	1.14	0.81
aspartate	ME466788	1.14	0.80
3-methylglutaconate	ME466695	1.14	0.80
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)*	ME466582	1.14	0.80
2,3-dihydroxyisovalerate	ME466619	1.14	0.80
xanthurenate	ME467318	1.16	0.77
1-arachidonoyl-GPC (20:4n6)*	ME466577	1.16	0.77
8-hydroxyguanine	ME466747	1.16	0.77
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	ME467155	1.16	0.78
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	ME466605	1.16	0.78
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	ME466730	1.16	0.78
methionine sulfone	ME467036	1.15	0.79
isovalerylglycine	ME466990	1.15	0.79
indolepropionate	ME466979	1.15	0.79
hesperetin	ME466955	1.15	0.79
4-hydroxyphenylpyruvate	ME466711	1.15	0.79
1-pentadecanoylglycerol (15:0)	ME466612	1.15	0.79
1-dihomo-linoleoylglycerol (20:2)	ME466578	1.15	0.79
1-palmitoylglycerol (16:0)	ME466606	1.15	0.79
sphingomyelin (d18:1/20:0, d16:1/22:0)*	ME467243	1.15	0.78
gamma-glutamylglutamate	ME466904	1.15	0.78
androstenediol (3alpha, 17alpha) monsulfate (2)	ME466771	1.15	0.78
dodecanedioate	ME466872	1.15	0.78
isobutyrylglycine	ME466984	1.12	0.84
urate	ME467301	1.12	0.83
syringic acid	ME467265	1.12	0.83
methylphosphate	ME467041	1.12	0.83
glycocholenate sulfate*	ME466938	1.12	0.83
glycerol	ME466928	1.12	0.83
gluconate	ME466918	1.12	0.83
dimethylglycine	ME466866	1.12	0.83
cinnamate	ME466831	1.12	0.83
1,2-dilinoleoyl-GPC (18:2/18:2)	ME466561	1.12	0.83
2-palmitoylglycerol (16:0)	ME466658	1.12	0.83
serotonin	ME467230	1.13	0.81
skatol	ME467232	1.13	0.81
7,12-diketolithocholate	ME466742	1.12	0.82
N-methyl-GABA	ME467116	1.13	0.82
glycerol 3-phosphate	ME466929	1.13	0.82
caproate (6:0)	ME466811	1.13	0.82
2-methylmalonylcarnitine (C4-DC)	ME466653	1.13	0.82
2-hydroxyadipate	ME466639	1.13	0.82
2-methylcitrate/homocitrate	ME466652	1.13	0.82
tyrosine	ME467295	1.10	0.86
solanidine	ME467235	1.10	0.86
serine	ME467229	1.10	0.86
N-linoleoylglycine	ME467114	1.10	0.86
methylsuccinate	ME467042	1.10	0.86
gamma-glutamylleucine	ME466909	1.10	0.86
asparagine	ME466787	1.10	0.86
alpha-tocotrienol	ME466769	1.10	0.86
3-methyl-2-oxovalerate	ME466693	1.10	0.86
2-hydroxyglutarate	ME466642	1.10	0.86
2-hydroxybutyrate/2-hydroxyisobutyrate	ME466640	1.10	0.86
2^-deoxyguanosine	ME466634	1.10	0.86
17alpha-hydroxypregnenolone 3-sulfate	ME466575	1.10	0.86
2-acetamidobutanoate	ME466626	1.10	0.86
pimelate (heptanedioate)	ME467188	1.10	0.85
histidine	ME466963	1.10	0.85
glutamine	ME466923	1.10	0.85
3,4-dihydroxybenzoate	ME466665	1.10	0.85
5-hydroxyhexanoate	ME466735	1.10	0.85
beta-hydroxyisovalerate	ME466796	1.11	0.85
1-methylimidazoleacetate	ME466594	1.11	0.85
4-imidazoleacetate	ME466712	1.11	0.85
pheophorbide A	ME467183	1.11	0.84
isocaproate	ME466985	1.11	0.84
linoleamide (18:2n6)	ME467008	1.11	0.84
sinapate	ME467231	1.03	0.96
pregnenolone sulfate	ME467194	1.03	0.96
N-glycolylneuraminate	ME467108	1.03	0.96
N-acetylhistidine	ME467079	1.03	0.96
mevalonate	ME467043	1.03	0.96
homoserine	ME466966	1.03	0.96
dimethylmalonic acid	ME466867	1.03	0.96
citrulline	ME466833	1.03	0.96
cholesterol	ME466829	1.03	0.96
10-heptadecenoate (17:1n7)	ME466566	1.03	0.96
1-methyl-beta-carboline-3-carboxylic acid	ME466590	1.03	0.96
methionine	ME467035	1.03	0.95
linoleoyl ethanolamide	ME467012	1.03	0.95
choline	ME466830	1.03	0.95
arabinose	ME466779	1.03	0.95
3-hydroxylaurate	ME466681	1.03	0.95
4-hydroxyphenylacetate	ME466710	1.03	0.95
N-acetylisoleucine	ME467080	1.04	0.95
N-acetylalanine	ME467063	1.04	0.95
1-oleoyl-GPE (18:1)	ME466600	1.04	0.95
2-oleoylglycerol (18:1)	ME466655	1.04	0.95
stigmasterol	ME467257	1.04	0.94
proline	ME467195	1.04	0.94
piperine	ME467191	1.04	0.94
palmitate (16:0)	ME467151	1.04	0.94
N-propionylalanine	ME467131	1.04	0.94
nicotinamide	ME467110	1.04	0.94
methylmalonate (MMA)	ME467039	1.04	0.94
leucine	ME467002	1.04	0.94
isoleucine	ME466986	1.04	0.94
gamma-glutamyltyrosine	ME466913	1.04	0.94
galactosylglycerol*	ME466897	1.04	0.94
biliverdin	ME466802	1.04	0.94
bilirubin (E,E)*	ME466800	1.04	0.94
3-hydroxybutyrate (BHBA)	ME466676	1.04	0.94
4-ureidobutyrate	ME466716	1.04	0.94
glycerate	ME466927	1.05	0.92
6-oxolithocholate	ME466740	1.05	0.92
beta-sitosterol	ME466798	1.05	0.92
arachidate (20:0)	ME466782	1.05	0.94
vanillactate	ME467314	1.05	0.93
ribitol	ME467212	1.05	0.93
pipecolate	ME467189	1.05	0.93
phosphate	ME467184	1.05	0.93
N-acetylleucine	ME467081	1.05	0.93
N-acetyl-beta-glucosaminylamine	ME467069	1.05	0.93
N6-formyllysine	ME467059	1.05	0.93
glutarate (pentanedioate)	ME466926	1.05	0.93
glutamate	ME466921	1.05	0.93
1-palmitoleoylglycerol (16:1)*	ME466602	1.05	0.93
deoxycarnitine	ME466851	1.05	0.93
threonine	ME467280	1.06	0.91
phenylalanine	ME467177	1.06	0.91
N-acetylglutamine	ME467076	1.06	0.91
N2-acetyllysine	ME467053	1.06	0.91
guanine	ME466950	1.06	0.91
gamma-glutamylthreonine	ME466912	1.06	0.91
3-hydroxydecanoate	ME466677	1.06	0.91
10-hydroxystearate	ME466567	1.06	0.91
1-stearoyl-GPC (18:0)	ME466613	1.06	0.91
trans-4-hydroxyproline	ME466969	1.06	0.92
carnitine	ME466815	1.06	0.92
campesterol	ME466809	1.06	0.92
2-aminophenol	ME466630	1.06	0.92
3beta-hydroxy-5-cholestenoate	ME466669	1.06	0.92
theobromine	ME467275	1.07	0.90
sphingomyelin (d18:2/23:1)*	ME467249	1.07	0.90
N-acetylvaline	ME467098	1.07	0.90
lysine	ME467022	1.07	0.90
glycylvaline	ME466947	1.07	0.90
glycine	ME466935	1.07	0.90
glycerophosphoglycerol	ME466931	1.07	0.90
azelate (nonanedioate)	ME466789	1.07	0.90
5-oxoproline	ME466738	1.07	0.90
4-hydroxycinnamate	ME466707	1.07	0.90
1,3,7-trimethylurate	ME466562	1.07	0.90
1-palmitoyl-GPG (16:0)*	ME466609	1.07	0.90
valine	ME467310	1.07	0.91
sulfate*	ME467264	1.07	0.91
N-acetyltyrosine	ME467097	1.07	0.91
methionine sulfoxide	ME467037	1.07	0.91
gentisate	ME466917	1.07	0.91
3-hydroxysebacate	ME466687	1.07	0.91
gamma-glutamylglycine	ME466906	1.07	0.91
phytosphingosine	ME467186	1.08	0.89
phenylacetylglycine	ME467175	1.08	0.89
oleate/vaccenate (18:1)	ME467138	1.08	0.89
N-propionylmethionine	ME467132	1.08	0.89
N-acetylthreonine	ME467095	1.08	0.89
N-acetylproline	ME467087	1.08	0.89
methyl indole-3-acetate	ME467038	1.08	0.89
mannitol/sorbitol	ME467030	1.08	0.89
kynurenine	ME466993	1.08	0.89
glutamate, gamma-methyl ester	ME466922	1.08	0.89
gamma-tocotrienol	ME466915	1.08	0.89
arginine	ME466786	1.08	0.89
3-methylhistidine	ME466698	1.08	0.89
1-methyladenine	ME466589	1.08	0.89
1-oleoylglycerol (18:1)	ME466598	1.08	0.89
trans-urocanate	ME467285	1.08	0.88
taurolithocholate 3-sulfate	ME467273	1.08	0.88
N-formylphenylalanine	ME467107	1.08	0.88
N-formylmethionine	ME467106	1.08	0.88
N-acetylpyrraline	ME467089	1.08	0.88
N-acetylglutamate	ME467075	1.08	0.88
imidazole propionate	ME466973	1.08	0.88
glycylisoleucine	ME466945	1.08	0.88
4-methyl-2-oxopentanoate	ME466713	1.08	0.88
arabitol/xylitol	ME466780	1.08	0.88
suberate (octanedioate)	ME467258	1.09	0.87
quinolinate	ME467210	1.09	0.87
p-cresol	ME467167	1.09	0.87
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	ME467146	1.09	0.87
levulinate (4-oxovalerate)	ME467006	1.09	0.87
homocitrulline	ME466965	1.09	0.87
glucuronate	ME466920	1.09	0.87
gamma-glutamyl-alpha-lysine	ME466902	1.09	0.87
2-aminobutyrate	ME466628	1.09	0.87
2-hydroxylaurate	ME466644	1.09	0.87
sebacate (decanedioate)	ME467224	1.09	0.88
saccharin	ME467219	1.09	0.88
N6-acetyllysine	ME467055	1.09	0.88
cholate sulfate	ME466828	1.09	0.88
fucitol	ME466891	1.09	0.88
valylglycine	ME467312	0.97	1.04
valerylglycine	ME467308	0.97	1.04
tetrahydrodeoxycorticosterone disulfate	ME467274	0.97	1.04
stachydrine	ME467252	0.97	1.04
S-1-pyrroline-5-carboxylate	ME467218	0.97	1.04
pyridoxate	ME467204	0.97	1.04
nonadecanoate (19:0)	ME467124	0.97	1.04
N1-Methyl-2-pyridone-5-carboxamide	ME467050	0.97	1.04
lignoceroylcarnitine (C24)*	ME467007	0.97	1.04
gulonate*	ME466952	0.97	1.04
formiminoglutamate	ME466889	0.97	1.04
dehydroisoandrosterone sulfate (DHEA-S)	ME466848	0.97	1.04
cytidine	ME466844	0.97	1.04
alpha-hydroxyisocaproate	ME466764	0.97	1.04
5-dodecenoate (12:1n7)	ME466733	0.97	1.04
3-phenylpropionate (hydrocinnamate)	ME466700	0.97	1.04
2-methylserine	ME466654	0.97	1.04
15-methylpalmitate	ME467040	0.97	1.04
1-oleoyl-GPG (18:1)*	ME466601	0.97	1.04
myristoleate (14:1n5)	ME467046	0.97	1.05
glucose	ME466919	0.97	1.05
genistein	ME466916	0.97	1.05
creatine	ME466836	0.97	1.05
cysteine	ME466839	0.97	1.05
pyridoxamine	ME467203	0.98	1.04
isoursodeoxycholate	ME466988	0.98	1.02
uracil	ME467300	0.98	1.03
N-formylanthranilic acid	ME467105	0.98	1.03
N-acetyl-beta-alanine	ME467068	0.98	1.03
malate	ME467024	0.98	1.03
hyocholate	ME466970	0.98	1.03
heptanoate (7:0)	ME466954	0.98	1.03
caffeic acid sulfate	ME466807	0.98	1.03
biotin	ME466803	0.98	1.03
6-hydroxynicotinate	ME466739	0.98	1.03
2-keto-3-deoxy-gluconate	ME466650	0.98	1.03
3-ureidopropionate	ME466702	0.98	1.03
stearoyl ethanolamide	ME467254	0.96	1.06
phenyllactate (PLA)	ME467180	0.96	1.06
phenylacetylphenylalanine	ME467176	0.96	1.06
N-methylproline	ME467120	0.96	1.06
N-acetyltryptophan	ME467096	0.96	1.06
N-acetylputrescine	ME467088	0.96	1.06
isoleucylglycine	ME466987	0.96	1.06
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	ME466941	0.96	1.06
glycolithocholate sulfate*	ME466940	0.96	1.06
androsterone sulfate	ME466776	0.96	1.06
2-hydroxypalmitate	ME466646	0.96	1.06
1-oleoyl-GPC (18:1)	ME466599	0.96	1.06
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	ME466584	0.96	1.06
1,11-undecanedicarboxylate	ME466554	0.96	1.06
13-methylmyristate	ME466573	0.96	1.06
undecanoate (11:0)	ME467299	0.96	1.05
pyridoxine (Vitamin B6)	ME467205	0.96	1.05
mead acid (20:3n9)	ME467034	0.96	1.05
lysylleucine	ME467023	0.96	1.05
diglycerol	ME466859	0.96	1.05
catechol sulfate	ME466817	0.96	1.05
2-hydroxymyristate	ME466645	0.96	1.05
2^-deoxyuridine	ME466637	0.96	1.05
2-hydroxy-3-methylvalerate	ME466638	0.96	1.05
glycerophosphoinositol*	ME466932	0.95	1.06
thymine	ME467283	0.95	1.07
threonylphenylalanine	ME467281	0.95	1.07
spermidine	ME467237	0.95	1.07
sedoheptulose	ME467227	0.95	1.07
pterin	ME467200	0.95	1.07
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	ME467013	0.95	1.07
lanosterol	ME466999	0.95	1.07
glycerophosphoethanolamine	ME466930	0.95	1.07
galactitol (dulcitol)	ME466895	0.95	1.07
eicosenoate (20:1)	ME466876	0.95	1.07
butyrylglycine	ME466804	0.95	1.07
3-ketosphinganine	ME466691	0.95	1.07
alpha-hydroxyisovalerate	ME466765	0.95	1.07
galacturonate	ME466898	0.95	1.08
thymidine	ME467282	0.95	1.08
soyasaponin III	ME467236	1.00	1.00
propionylglycine	ME467198	1.00	1.00
pregnen-diol disulfate*	ME467193	1.00	1.00
pentadecanoate (15:0)	ME467169	1.00	1.00
pantetheine	ME467164	1.00	1.00
nicotinate ribonucleoside	ME467113	1.00	1.00
N-alpha-acetylornithine	ME467099	1.00	1.00
gabapentin	ME466894	1.00	1.00
D-urobilin	ME466873	1.00	1.00
dihydroferulic acid	ME466863	1.00	1.00
carboxyibuprofen	ME466814	1.00	1.00
2-isopropylmalate	ME466649	1.00	1.00
10-nonadecenoate (19:1n9)	ME466568	1.00	1.00
2-hydroxystearate	ME466648	1.00	1.00
valerate	ME467307	1.00	1.01
ribose	ME467215	1.00	1.01
N-acetylphenylalanine	ME467086	1.00	1.01
3-(4-hydroxyphenyl)lactate	ME466663	1.00	1.01
gamma-glutamylisoleucine*	ME466908	1.00	1.01
xylose	ME467319	0.99	1.01
ursodeoxycholate	ME467304	0.99	1.01
undecanedioate	ME467298	0.99	1.01
theophylline	ME467276	0.99	1.01
stearate (18:0)	ME467253	0.99	1.01
octadecanedioate	ME467136	0.99	1.01
nicotinamide riboside	ME467111	0.99	1.01
N-delta-acetylornithine	ME467104	0.99	1.01
fucose	ME466892	0.99	1.01
dehydrolithocholate	ME466849	0.99	1.01
alpha-tocopherol	ME466767	0.99	1.01
8-hydroxyoctanoate	ME466748	0.99	1.01
3-(4-hydroxyphenyl)propionate	ME466664	0.99	1.01
1-palmitoyl-GPE (16:0)	ME466608	0.99	1.01
17-methylstearate	ME466576	0.99	1.01
1-margaroylglycerol (17:0)	ME466588	0.99	1.01
ursodeoxycholate sulfate (1)	ME467305	0.99	1.02
pyridoxal	ME467202	0.99	1.02
phenylpropionylglycine	ME467181	0.99	1.02
nicotinate	ME467112	0.99	1.02
N6-carboxyethyllysine	ME467057	0.99	1.02
choline phosphate	ME467185	0.99	1.02
3-hydroxymyristate	ME466682	0.99	1.02
1-palmitoyl-GPC (16:0)	ME466607	0.99	1.02
2-deoxyribose	ME466636	0.99	1.02
rosmarinate	ME467217	1.02	0.97
propionylglutamine	ME467197	1.02	0.97
pantothenate	ME467165	1.02	0.97
palmitoleate (16:1n7)	ME467153	1.02	0.97
hexadecanedioate	ME466957	1.02	0.97
gamma-glutamylhistidine	ME466907	1.02	0.97
fumarate	ME466893	1.02	0.97
flavin mononucleotide (FMN)	ME466888	1.02	0.97
beta-alanine	ME466794	1.02	0.97
allo-threonine	ME466762	1.02	0.97
2,3-dimethylsuccinate	ME466620	1.02	0.97
3-hydroxyoctanoate	ME466683	1.02	0.97
ursocholate	ME467303	1.02	0.98
retinol (Vitamin A)	ME467211	1.02	0.98
gamma-glutamylphenylalanine	ME466911	1.02	0.98
argininate*	ME466785	1.02	0.98
agmatine	ME466758	1.02	0.98
alpha-CEHC sulfate	ME466763	1.02	0.98
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)	ME466729	1.00	0.99
maltose	ME467027	1.00	0.99
ribulose/xylulose	ME467216	1.01	0.99
riboflavin (Vitamin B2)	ME467213	1.01	0.99
isovalerate	ME466989	1.01	0.99
glycylleucine	ME466946	1.01	0.99
glycoursodeoxycholate	ME466944	1.01	0.99
cysteine sulfinic acid	ME466841	1.01	0.99
behenoyl ethanolamide (22:0)*	ME466790	1.01	0.99
3-methylglutarate/2-methylglutarate	ME466696	1.01	0.99
3-hydroxysuberate	ME466689	1.01	0.99
2^-deoxycytidine	ME466633	1.01	0.99
1,3-dimethylurate	ME466563	1.01	0.99
1-stearoyl-GPG (18:0)	ME466615	1.01	0.99
tryptophan	ME467290	1.01	0.98
pseudouridine	ME467199	1.01	0.98
erythritol	ME466883	1.01	0.98
5-acetylamino-6-amino-3-methyluracil	ME466718	1.01	0.98
alanine	ME466759	1.01	0.98
7-methylguanine	ME466745	0.86	1.19
7-ketolithocholate	ME466744	0.86	1.19
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	ME466552	0.86	1.19
1-stearoyl-GPI (18:0)	ME466616	0.86	1.19
dihomo-linoleate (20:2n6)	ME466860	0.86	1.20
cryptochlorogenic acid	ME466838	0.86	1.20
bilirubin (Z,Z)	ME466799	0.86	1.20
5alpha-androstan-3beta,17beta-diol monosulfate (2)	ME466726	0.86	1.20
1-(1-enyl-stearoyl)-GPE (P-18:0)*	ME466553	0.86	1.20
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol (18:3/16:3)	ME466579	0.86	1.20
uridine	ME467302	0.87	1.18
1-palmitoyl-GPS (16:0)*	ME466611	0.87	1.18
phenylalanylalanine	ME467178	0.87	1.18
tyrosylglycine	ME467297	0.87	1.19
5alpha-androstan-3alpha,17beta-diol monosulfate (1)	ME466721	0.87	1.19
delta-tocopherol	ME466850	0.87	1.19
taurocholenate sulfate	ME467270	0.89	1.15
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)	ME466557	0.89	1.15
3-hydroxy-3-methylglutarate	ME466675	0.89	1.15
valylglutamine	ME467311	0.89	1.16
glutaminylleucine	ME466924	0.89	1.16
eicosapentaenoate (EPA; 20:5n3)	ME466875	0.89	1.16
caffeate	ME466806	0.89	1.16
docosapentaenoate (n6 DPA; 22:5n6)	ME466871	0.89	1.16
leucylalanine	ME467003	0.88	1.18
N-behenoyl-sphingadienine (d18:2/22:0)*	ME467100	0.88	1.18
trimethylamine N-oxide	ME467288	0.88	1.17
quinate	ME467209	0.88	1.17
palmitoyl ethanolamide	ME467157	0.88	1.17
orotate	ME467148	0.88	1.17
oleoyl ethanolamide	ME467139	0.88	1.17
margarate (17:0)	ME467032	0.88	1.17
adrenate (22:4n6)	ME466757	0.88	1.17
cysteinylglycine	ME466842	0.88	1.17
beta-guanidinopropanoate	ME466795	0.88	1.16
N-palmitoylglycine	ME467125	0.88	1.16
mannose	ME467031	0.91	1.12
lactobionate	ME466995	0.91	1.12
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3)	ME466603	0.91	1.12
erucate (22:1n9)	ME466882	0.91	1.12
valerylphenylalanine	ME467309	0.91	1.13
oleoylcholine	ME467141	0.91	1.13
leucylglutamine*	ME467004	0.91	1.13
carnosine	ME466816	0.91	1.13
gamma-tocopherol/beta-tocopherol	ME466914	0.91	1.13
xanthine	ME467316	0.90	1.14
pyruvate	ME467208	0.90	1.14
N-acetyl-1-methylhistidine*	ME467061	0.90	1.14
N6-carboxymethyllysine	ME467058	0.90	1.14
indolin-2-one	ME466980	0.90	1.14
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	ME466942	0.90	1.14
6-oxopiperidine-2-carboxylate	ME466741	0.90	1.14
5alpha-androstan-3beta,17beta-diol disulfate	ME466724	0.90	1.14
12,13-DiHOME	ME466570	0.90	1.14
2-aminoheptanoate	ME466629	0.90	1.14
leucylglycine	ME467005	0.90	1.15
adenine	ME466754	0.90	1.15
cerotoylcarnitine (C26)*	ME466823	0.90	1.15
succinimide	ME467260	0.94	1.08
oleoylcarnitine (C18:1)	ME467140	0.94	1.08
N-acetylglycine	ME467077	0.94	1.08
hypoxanthine	ME466971	0.94	1.08
glutamyl-meso-diaminopimelate	ME466925	0.94	1.08
androstenediol (3beta,17beta) monosulfate (1)	ME466774	0.94	1.08
gamma-CEHC	ME466900	0.94	1.08
valylleucine	ME467313	0.94	1.09
N-carbamoylaspartate	ME467103	0.94	1.09
N6-methyladenosine	ME467060	0.94	1.09
malonate	ME467025	0.94	1.09
gamma-glutamylalanine	ME466901	0.94	1.09
dimethylarginine (SDMA + ADMA)	ME466865	0.94	1.09
1-stearoyl-GPE (18:0)	ME466614	0.94	1.09
2-hydroxydecanoate	ME466641	0.94	1.09
N-acetylmethionine sulfoxide	ME467083	0.93	1.09
fructose	ME466890	0.93	1.09
2-hydroxyphenylacetate	ME466647	0.93	1.09
carboxyethyl-GABA	ME466813	0.93	1.09
gamma-aminobutyrate (GABA)	ME466899	0.93	1.11
xanthosine	ME467317	0.93	1.10
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	ME467241	0.93	1.10
sphingomyelin (d18:0/18:0, d19:0/17:0)*	ME467239	0.93	1.10
sedoheptulose-7-phosphate	ME467228	0.93	1.10
phenylacetate	ME467172	0.93	1.10
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	ME467156	0.93	1.10
palmitic amide	ME467152	0.93	1.10
N-acetylneuraminate	ME467085	0.93	1.10
lactate	ME466994	0.93	1.10
epiandrosterone sulfate	ME466880	0.93	1.10
coprostanol	ME466834	0.93	1.10
1-stearoyl-GPS (18:0)*	ME466617	0.93	1.10
11-ketoetiocholanolone sulfate	ME466569	0.93	1.10
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)*	ME466583	0.93	1.10
tyrosol	ME467296	0.92	1.11
tryptophylglycine	ME467292	0.92	1.11
putrescine	ME467201	0.92	1.11
N-acetylmethionine	ME467082	0.92	1.11
N-acetylcitrulline	ME467072	0.92	1.11
caffeine	ME466808	0.92	1.11
behenoylcarnitine (C22)*	ME466792	0.92	1.11
alanylleucine	ME466760	0.92	1.11
1,7-dimethylurate	ME466565	0.92	1.11
1-palmitoyl-GPI (16:0)	ME466610	0.92	1.11
guanosine	ME466951	0.92	1.12
docosahexaenoate (DHA; 22:6n3)	ME466869	0.92	1.12
androstenediol (3beta,17beta) disulfate (2)	ME466773	0.92	1.12
1-methylguanidine	ME466591	0.92	1.12
2^-deoxyinosine	ME466635	0.92	1.12
ornithine	ME467147	0.85	1.22
1-(1-enyl-oleoyl)-GPE (P-18:1)*	ME466551	0.85	1.22
arachidonate (20:4n6)	ME466783	0.85	1.22
glycocholate	ME466937	0.85	1.21
erythrose	ME466885	0.85	1.21
1-linoleoyl-GPE (18:2)*	ME466587	0.85	1.21
ectoine	ME466874	0.85	1.21
palmitoleoylcarnitine (C16:1)*	ME467154	0.83	1.24
N-acetylmuramate	ME467084	0.83	1.24
cytosine	ME466846	0.83	1.24
androstenediol (3beta,17beta) disulfate (1)	ME466772	0.83	1.24
9,10-DiHOME	ME466749	0.83	1.24
2^-deoxyadenosine	ME466632	0.83	1.24
3b-hydroxy-5-cholenoic acid	ME466670	0.83	1.24
phenylalanylglycine	ME467179	0.84	1.22
N-methyltaurine	ME467121	0.84	1.23
margaroyl ethanolamide*	ME467033	0.84	1.23
linoleoylcarnitine (C18:2)*	ME467014	0.84	1.23
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	ME466943	0.84	1.23
gamma-glutamyl-epsilon-lysine	ME466903	0.84	1.23
arachidoylcarnitine (C20)*	ME466784	0.84	1.23
5-methyluridine (ribothymidine)	ME466737	0.84	1.23
4-cholesten-3-one	ME466704	0.84	1.23
3-hydroxyhexanoate	ME466678	0.84	1.23
3,7-dimethylurate	ME466667	0.84	1.23
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	ME466671	0.84	1.23
pregn steroid monosulfate*	ME467192	0.81	1.26
pyrraline	ME467207	0.82	1.26
palmitoylcholine	ME467159	0.82	1.26
L-urobilin	ME467021	0.82	1.26
lithocholate	ME467020	0.82	1.26
I-urobilinogen	ME466991	0.82	1.26
2-piperidinone	ME466659	0.82	1.26
indolelactate	ME466978	0.82	1.26
inosine	ME466981	0.82	1.25
2-aminophenol sulfate	ME466631	0.82	1.25
3-hydroxystearate	ME466688	0.82	1.25
maltotriose	ME467029	0.83	1.25
N-acetylglucosamine/N-acetylgalactosamine	ME467073	0.83	1.25
taurochenodeoxycholate	ME467268	0.81	1.27
N-acetyl-3-methylhistidine*	ME467062	0.81	1.27
enterodiol	ME466878	0.81	1.27
docosadienoate (22:2n6)	ME466868	0.81	1.27
cortolone	ME466835	0.81	1.27
21-hydroxypregnenolone disulfate	ME466625	0.81	1.27
betaine	ME466797	0.81	1.27
ceramide (d18:2/24:1, d18:1/24:2)*	ME466822	0.80	1.29
glycodeoxycholate	ME466939	0.80	1.29
ursodeoxycholate sulfate (2)	ME467306	0.80	1.28
N-palmitoyl-sphinganine (d18:0/16:0)	ME467127	0.80	1.28
digalacturonic acid	ME466858	0.80	1.28
N-palmitoyl-sphingadienine (d18:2/16:0)*	ME467126	0.80	1.28
thiamin (Vitamin B1)	ME467277	0.79	1.30
N-palmitoyl-sphingosine (d18:1/16:0)	ME467128	0.79	1.30
LAHSA (18:2/OH-18:0)*	ME466998	0.79	1.30
dihomo-linolenate (20:3n3 or n6)	ME466861	0.79	1.30
3,4-dihydroxyphenylacetate	ME466666	0.79	1.30
cytidine 2^,3^-cyclic monophosphate	ME466845	0.79	1.30
3-hydroxypalmitate	ME466684	0.79	1.29
succinate	ME467259	0.79	1.29
S-carboxymethyl-L-cysteine	ME467223	0.78	1.31
phenethylamine	ME467170	0.78	1.31
myo-inositol	ME467044	0.78	1.31
liquiritigenin	ME467019	0.78	1.31
deoxycholate	ME466852	0.78	1.31
glycerophosphoserine*	ME466934	0.78	1.31
N-oleoylglycine	ME467122	0.78	1.32
taurocholate	ME467269	0.78	1.32
harmane	ME466953	0.77	1.33
N-acetylsphingosine	ME467093	0.77	1.32
sucralose	ME467262	0.77	1.32
enterolactone	ME466879	0.72	1.39
1-methylxanthine	ME466597	0.72	1.39
5-hydroxylysine	ME466736	0.72	1.39
arabonate/xylonate	ME466781	0.72	1.40
N-pentadecanoyl-sphingosine (d18:1/15:0)*	ME467130	0.72	1.40
acetylcarnitine (C2)	ME466751	0.73	1.38
tryptamine	ME467289	0.73	1.39
12-dehydrocholate	ME466571	0.76	1.35
stearoylcarnitine (C18)	ME467255	0.76	1.34
7-ketodeoxycholate	ME466743	0.76	1.34
glycochenodeoxycholate	ME466936	0.76	1.34
ceramide (d18:1/14:0, d16:1/16:0)*	ME466819	0.74	1.38
thioproline	ME467278	0.74	1.37
myristoleoylcarnitine (C14:1)*	ME467047	0.74	1.37
PAHSA (16:0/OH-18:0)	ME467150	0.74	1.37
palmitoylcarnitine (C16)	ME467158	0.75	1.35
1-linoleoyl-GPC (18:2)	ME466586	0.74	1.36
paraxanthine	ME467166	0.74	1.36
N-methylalanine	ME467115	0.75	1.36
docosapentaenoate (n3 DPA; 22:5n3)	ME466870	0.75	1.36
indoleacetate	ME466976	0.75	1.36
1-methylhistamine	ME466592	0.20	2.13
histamine	ME466962	0.28	2.03
tyramine	ME467293	0.27	2.03
cadaverine	ME466805	0.31	1.97
homovanillate sulfate	ME466967	0.30	1.99
N(1)-acetylspermine	ME467048	0.41	1.84
apigenin	ME466778	0.44	1.79
20-hydroxyecdysone	ME466624	0.45	1.78
5alpha-androstan-3beta,17alpha-diol monosulfate (1)	ME466723	0.45	1.78
chenodeoxycholate	ME466825	0.48	1.74
maltotetraose	ME467028	0.47	1.75
N-acetyl-cadaverine	ME467070	0.46	1.76
dihydrocaffeate	ME466862	0.65	1.50
adenosine 5^-monophosphate (AMP)	ME466770	0.65	1.49
N6,N6,N6-trimethyllysine	ME467054	0.65	1.49
ceramide (d16:1/24:1, d18:1/22:1)*	ME466818	0.67	1.47
OAHSA (18:1/OH-18:0)*	ME467135	0.68	1.45
daidzein	ME466847	0.68	1.45
diaminopimelate	ME466857	0.68	1.45
1-methylurate	ME466596	0.67	1.46
sphingosine	ME467251	0.68	1.46
N-stearoyl-sphingosine (d18:1/18:0)*	ME467133	0.68	1.46
hexadecasphinganine (d16:0)*	ME466958	0.68	1.46
2,4,6-trihydroxybenzoate	ME466621	0.68	1.46
eicosenoylcarnitine (C20:1)*	ME466877	0.68	1.46
5alpha-androstan-3beta,17beta-diol monosulfate (1)	ME466725	0.69	1.44
N-butyroyl-sphingosine (d18:1/4:0)	ME467101	0.69	1.44
5alpha-androstan-3beta,17alpha-diol disulfate	ME466722	0.71	1.42
Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate	ME466983	0.70	1.43
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*	ME466558	0.70	1.43
ceramide (d18:1/17:0, d17:1/18:0)*	ME466820	0.70	1.43
sucrose	ME467263	0.70	1.42
sphinganine	ME467238	0.70	1.42
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	ME466821	0.70	1.42
2,3-dihydroxy-2-methylbutyrate	ME466618	0.70	1.42
5-aminovalerate	ME466732	0.70	1.42
bilirubin (E,Z or Z,E)*	ME466801	0.58	1.59
glycerophosphorylcholine (GPC)	ME466933	0.59	1.58
piperidine	ME467190	0.59	1.58
secoisolariciresinol	ME467225	0.62	1.54
5alpha-androstan-3alpha,17beta-diol disulfate	ME466720	0.62	1.54
adenosine	ME466755	0.62	1.54
hexadecasphingosine (d16:1)*	ME466959	0.60	1.57
thymidine 5^-monophosphate	ME467284	0.60	1.57
3-dehydrocholate	ME466673	0.61	1.55
4-methylcatechol sulfate	ME466714	0.61	1.56
tryptophan betaine	ME467291	0.61	1.56
cholate	ME466827	0.49	1.72
laurylcarnitine (C12)	ME467001	0.51	1.70
N1,N12-diacetylspermine	ME467049	0.52	1.69
N-acetylhistamine	ME467078	0.53	1.67
inositol triphosphate	ME466982	0.54	1.66
1,2,3-benzenetriol sulfate (2)	ME466556	0.54	1.66
5alpha-androstan-3alpha,17alpha-diol disulfate	ME466719	0.54	1.66
1,2,3-benzenetriol sulfate (1)	ME466555	0.55	1.64
steviol	ME467256	0.57	1.61
2,8-quinolinediol	ME466623	0.56	1.63
anserine	ME466777	0.56	1.62

Factors:

F1	Sex:Female
F2	Sex:Male

Data matrix