Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001412)

Reversed phase POSITIVE ION MODE (Analysis AN002362)

Metabolite	Structure	F1	F2	F3
dimethyl sulfone	ME325001	0.34	2.13	0.52
omeprazole	ME325306	0.28	2.28	0.42
2-hydroxyacetaminophen sulfate*	ME324705	1.04	0.26	1.70
4-acetaminophen sulfate	ME324801	0.93	0.27	1.80
5-hydroxy-2-methylpyridine sulfate	ME324832	0.85	0.54	1.61
(2,4 or 2,5)-dimethylphenol sulfate	ME324646	0.68	0.67	1.64
inosine	ME325155	0.61	0.67	1.71
umbelliferone sulfate	ME325461	0.56	0.67	1.75
3-(methylthio)acetaminophen sulfate*	ME324744	0.42	0.40	2.16
azelate (C9-DC)	ME324910	0.46	0.51	2.03
3-hydroxy-2-methylpyridine sulfate	ME324754	0.70	0.44	1.86
heme	ME325119	0.69	0.42	1.88
Fibrinopeptide B (1-12)**	ME325043	0.58	0.58	1.84
N-(2-furoyl)glycine	ME325221	0.67	0.52	1.80
3-(N-acetyl-L-cystein-S-yl) acetaminophen	ME324745	0.79	0.29	1.91
2,3-diphosphoglycerate	ME324695	0.67	0.35	1.97
2-methoxyacetaminophen glucuronide*	ME324724	0.59	0.33	2.07
4-acetamidophenol	ME324799	0.61	0.13	2.25
4-acetamidophenylglucuronide	ME324800	0.64	0.18	2.17
ibuprofen	ME325145	0.34	0.32	2.32
Fibrinopeptide A, des-ala(1)*	ME325040	0.20	0.36	2.42
phenylalanylphenylalanine	ME325336	0.26	0.26	2.47
2,2^-Methylenebis(6-tert-butyl-p-cresol)	ME324691	0.22	0.21	2.55
Fibrinopeptide B (1-13)**	ME325044	0.21	0.22	2.56
cotinine	ME324969	0.10	1.92	0.97
hydrochlorothiazide	ME325135	0.12	1.68	1.17
metoprolol acid metabolite*	ME325211	0.04	1.23	1.71
metformin	ME325201	0.10	1.36	1.51
saccharin	ME325391	0.23	1.41	1.34
desmethylnaproxen sulfate	ME324991	0.15	1.42	1.41
naproxen	ME325283	0.15	1.44	1.40
ethylparaben sulfate	ME325031	2.15	0.46	0.41
4-acetylphenol sulfate	ME324803	1.72	0.82	0.48
4-ethylphenylsulfate	ME324808	1.69	0.91	0.41
N-methyltaurine	ME325259	1.50	1.00	0.52
alliin	ME324873	1.43	1.15	0.42
S-allylcysteine	ME325388	1.46	1.08	0.47
N-methylproline	ME325258	1.39	0.76	0.86
tryptophan betaine	ME325458	1.42	0.74	0.86
4-hydroxycoumarin	ME324813	1.49	0.66	0.86
14-HDoHE/17-HDoHE	ME324685	1.46	0.69	0.85
N-acetylglycine	ME325237	1.44	0.70	0.87
7-methylxanthine	ME324856	1.54	0.80	0.67
4-allylphenol sulfate	ME324805	1.52	0.76	0.73
arachidonoylcholine	ME324900	1.52	0.77	0.72
5alpha-pregnan-3beta,20alpha-diol disulfate	ME324846	1.51	0.80	0.71
quinate	ME325370	1.48	0.81	0.72
4-allylcatechol sulfate	ME324804	1.55	0.70	0.76
dihomo-linolenoyl-choline	ME324995	1.55	0.70	0.76
palmitoloelycholine	ME325317	1.60	0.71	0.70
pregnanediol-3-glucuronide	ME325350	1.60	0.74	0.67
5alpha-pregnan-3beta,20beta-diol monosulfate (1)	ME324848	1.57	0.75	0.69
vanillic acid glycine	ME325473	1.58	0.75	0.68
cinnamoylglycine	ME324958	1.91	0.61	0.50
linoleoylcholine*	ME325185	1.83	0.61	0.58
3-phenylpropionate (hydrocinnamate)	ME324790	1.86	0.65	0.51
indolepropionate	ME325153	1.82	0.66	0.54
beta-sitosterol	ME324918	1.72	0.55	0.74
methyl glucopyranoside (alpha + beta)	ME325205	1.68	0.57	0.76
hydroxy-CMPF*	ME325137	1.72	0.61	0.69
carotene diol (2)	ME324944	1.74	0.63	0.64
stearoylcholine*	ME325412	1.74	0.64	0.64
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	ME324847	1.78	0.60	0.64
beta-cryptoxanthin	ME324915	1.78	0.63	0.61
oleoylcholine	ME325305	1.78	0.63	0.61
carotene diol (3)	ME324945	1.64	0.66	0.71
ethyl alpha-glucopyranoside	ME325029	1.67	0.66	0.68
chiro-inositol	ME324951	1.63	0.73	0.65
docosahexaenoylcholine	ME325008	1.64	0.72	0.65
1,2,3-benzenetriol sulfate (2)	ME324652	1.66	0.72	0.64
carotene diol (1)	ME324943	1.67	0.70	0.65
branched chain 14:0 dicarboxylic acid**	ME324925	1.72	0.70	0.60
palmitoylcholine	ME325321	1.70	0.68	0.64
glycohyocholate	ME325110	1.46	0.56	0.99
guanidinoacetate	ME325116	1.71	0.44	0.86
dihydroorotate	ME324999	0.32	1.36	1.31
metabolonic lactone sulfate	ME325200	0.37	1.30	1.32
(R)-3-hydroxybutyrylcarnitine	ME324648	0.43	1.20	1.36
quinolinate	ME325372	0.52	1.16	1.30
suberoylcarnitine (C8-DC)	ME325414	0.48	1.18	1.32
glycoursodeoxycholate	ME325113	0.46	1.35	1.18
1-carboxyethylleucine	ME324658	0.46	1.29	1.24
formiminoglutamate	ME325047	0.47	1.25	1.26
ursodeoxycholate	ME325468	0.54	1.42	1.04
isoursodeoxycholate	ME325162	0.50	1.39	1.10
4-hydroxyglutamate	ME324814	0.47	1.41	1.11
glycoursodeoxycholic acid sulfate (1)	ME325114	0.47	1.42	1.09
2-aminoadipate	ME324698	0.61	1.18	1.20
cortolone glucuronide (1)	ME324968	0.59	1.20	1.20
gamma-glutamylglutamate	ME325060	0.64	1.17	1.18
mannonate*	ME325195	0.64	1.17	1.19
gamma-glutamylisoleucine*	ME325064	0.64	1.19	1.16
mannose	ME325196	0.63	1.19	1.17
trimethylamine N-oxide	ME325456	0.57	1.19	1.24
glutamate	ME325083	0.54	1.23	1.22
taurocholate	ME325430	0.56	1.21	1.21
3-hydroxysebacate	ME324772	0.57	1.22	1.20
gamma-glutamylvaline	ME325071	0.58	1.22	1.19
hexanoylglutamine	ME325127	0.61	1.22	1.16
decadienedioic acid (C10:2-DC)**	ME324981	0.63	1.22	1.14
(S)-3-hydroxybutyrylcarnitine	ME324649	0.62	1.23	1.14
11beta-hydroxyandrosterone glucuronide	ME324682	0.60	1.26	1.13
glycodeoxycholate	ME325108	0.59	1.26	1.14
deoxycholic acid glucuronide	ME324988	0.61	1.27	1.11
5-hydroxylysine	ME324835	0.63	1.27	1.10
N4-acetylcytidine	ME325276	0.63	1.26	1.10
3-hydroxyadipate*	ME324756	0.58	1.31	1.10
taurodeoxycholate	ME325432	0.52	1.32	1.16
1-carboxyethylphenylalanine	ME324659	0.55	1.29	1.15
5-(galactosylhydroxy)-L-lysine	ME324827	0.55	1.28	1.15
1-carboxyethylvaline	ME324660	0.53	1.29	1.16
hydantoin-5-propionate	ME325134	0.53	1.30	1.16
spermine	ME325401	0.55	0.97	1.47
adipoylcarnitine (C6-DC)	ME324869	0.49	1.09	1.41
acesulfame	ME324860	0.52	1.06	1.41
orotidine	ME325309	0.50	1.05	1.43
beta-hydroxyisovalerate	ME324916	0.76	1.02	1.21
cystathionine	ME324973	0.75	1.01	1.24
2-oxoarginine*	ME324731	0.76	1.01	1.23
glycerol 3-phosphate	ME325093	0.76	1.01	1.23
argininate*	ME324902	0.79	0.98	1.23
octadecenedioylcarnitine (C18:1-DC)*	ME325299	0.77	0.97	1.25
3-hydroxybutyrate (BHBA)	ME324757	0.77	0.98	1.25
imidazole propionate	ME325148	0.76	0.98	1.25
octadecanedioate (C18-DC)	ME325296	0.76	0.98	1.25
glutarate (C5-DC)	ME325088	0.82	0.91	1.27
hexadecanedioate (C16-DC)	ME325123	0.79	0.95	1.25
4-hydroxyphenylacetate	ME324816	0.81	0.96	1.23
taurocholenate sulfate*	ME325431	0.82	0.95	1.23
tiglylcarnitine (C5:1-DC)	ME325446	0.71	1.01	1.27
xanthine	ME325479	0.72	1.01	1.27
O-acetylhomoserine	ME325290	0.69	0.99	1.31
suberate (C8-DC)	ME325413	0.70	1.00	1.30
16a-hydroxy DHEA 3-sulfate	ME324687	0.69	0.93	1.37
octadecanedioylcarnitine (C18-DC)*	ME325297	0.71	0.95	1.34
sebacate (C10-DC)	ME325395	0.76	0.92	1.32
andro steroid monosulfate C19H28O6S (1)*	ME324885	0.73	0.96	1.31
gamma-glutamyl-2-aminobutyrate	ME325056	0.73	0.96	1.30
methyl indole-3-acetate	ME325206	0.70	1.07	1.23
glucuronate	ME325078	0.73	1.06	1.20
butyrylcarnitine (C4)	ME324931	0.72	1.05	1.22
hypoxanthine	ME325144	0.73	1.05	1.21
N1-Methyl-2-pyridone-5-carboxamide	ME325267	0.71	1.12	1.17
picolinoylglycine	ME325344	0.70	1.12	1.18
10-heptadecenoate (17:1n7)	ME324678	0.72	1.10	1.17
docosatrienoate (22:3n3)	ME325011	0.71	1.10	1.18
glycochenodeoxycholate	ME325102	0.70	1.10	1.19
isovalerylcarnitine (C5)	ME325164	0.71	1.09	1.19
2-methylbutyrylcarnitine (C5)	ME324727	0.64	1.14	1.21
N-acetyl-1-methylhistidine*	ME325222	0.64	1.13	1.22
N-acetylcitrulline	ME325232	0.65	1.14	1.20
fructosyllysine	ME325049	0.66	1.15	1.19
glycocholate	ME325105	0.66	1.14	1.19
3-hydroxyisobutyrate	ME324765	0.68	1.12	1.20
succinylcarnitine (C4-DC)	ME325418	0.68	1.11	1.20
adrenate (22:4n6)	ME324870	0.68	1.09	1.22
taurochenodeoxycholate	ME325428	0.66	1.10	1.23
4-hydroxyphenylacetylglutamine	ME324817	0.62	1.13	1.24
alpha-CEHC sulfate	ME324877	0.58	1.15	1.27
indoleacetylglutamine	ME325151	0.60	1.11	1.28
2S,3R-dihydroxybutyrate	ME324736	0.67	1.06	1.26
3-hydroxydodecanedioate*	ME324761	0.65	1.03	1.32
acetoacetate	ME324861	0.64	1.03	1.32
2-hydroxybutyrate/2-hydroxyisobutyrate	ME324707	0.63	1.06	1.30
alpha-ketobutyrate	ME324881	0.64	1.06	1.29
deoxycholic acid (12 or 24)-sulfate*	ME324987	0.46	1.60	0.92
salicyluric glucuronide*	ME325393	0.52	1.53	0.94
5alpha-androstan-3alpha,17beta-diol disulfate	ME324840	0.79	1.24	0.97
2-hydroxyibuprofen	ME324711	0.82	1.25	0.93
3-(3-hydroxyphenyl)propionate	ME324742	0.82	1.23	0.95
3-hydroxyhippurate	ME324764	0.82	1.21	0.96
2-isopropylmalate	ME324721	0.71	1.32	0.97
gamma-CEHC glucuronide*	ME325055	0.69	1.33	0.97
deoxycholate	ME324986	0.73	1.30	0.97
phenylacetylglutamate	ME325333	0.74	1.28	0.97
octanoylcarnitine (C8)	ME325300	0.79	1.31	0.90
glutamine conjugate of C6H10O2 (1)*	ME325085	0.74	1.34	0.92
5alpha-androstan-3beta,17beta-diol disulfate	ME324844	0.75	1.31	0.94
glucuronide of piperine metabolite C17H21NO3 (5)*	ME325082	0.76	1.30	0.93
glycochenodeoxycholate glucuronide (1)	ME325104	0.67	1.30	1.03
phenol sulfate	ME325332	0.75	1.24	1.00
cis-4-decenoate (10:1n6)*	ME324959	0.78	1.22	1.00
pyridoxate	ME325366	0.76	1.22	1.01
hexanoylcarnitine (C6)	ME325126	0.71	1.24	1.04
3-methylglutarylcarnitine (2)	ME324787	0.73	1.23	1.03
tyramine O-sulfate	ME325459	0.72	1.24	1.03
metoprolol	ME325210	0.72	1.26	1.01
arabinose	ME324894	0.70	1.28	1.02
maleate	ME325189	0.71	1.27	1.02
3-methoxytyrosine	ME324779	0.74	1.49	0.76
3-methoxytyramine sulfate	ME324778	0.79	1.44	0.77
maprotiline	ME325197	0.79	1.41	0.79
lithocholate sulfate (1)	ME325186	0.62	1.49	0.88
glutamine conjugate of C7H12O2*	ME325087	0.64	1.45	0.90
isocitrate	ME325159	0.64	1.46	0.89
glutamine conjugate of C6H10O2 (2)*	ME325086	0.63	1.38	0.98
glycolithocholate	ME325111	0.65	1.38	0.96
carboxyibuprofen	ME324940	0.69	1.38	0.92
gabapentin	ME325051	0.69	1.38	0.93
glucuronide of C10H18O2 (7)*	ME325079	0.72	1.38	0.90
mannitol/sorbitol	ME325194	0.72	1.39	0.89
glycocholate glucuronide (1)	ME325106	0.70	1.43	0.86
nonanoylcarnitine (C9)	ME325288	0.75	1.39	0.85
cysteine-glutathione disulfide	ME324976	1.03	0.71	1.25
methyl-4-hydroxybenzoate sulfate	ME325207	1.03	0.72	1.26
genistein sulfate*	ME325073	1.11	0.64	1.26
leucylphenylalanine/isoleucylphenylalanine	ME325177	1.15	0.62	1.24
2-piperidinone	ME324732	0.93	0.77	1.30
citraconate/glutaconate	ME324963	0.90	0.80	1.30
hypotaurine	ME325143	0.88	0.93	1.19
nisinate (24:6n3)	ME325286	0.87	0.93	1.20
biliverdin	ME324924	0.88	0.88	1.24
3-phosphoglycerate	ME324791	0.87	0.89	1.23
creatine	ME324970	0.88	0.89	1.22
stearoyl ethanolamide	ME325410	0.88	0.90	1.22
3,4-methyleneheptanoate	ME324738	0.93	0.85	1.21
androstenediol (3beta,17beta) monosulfate (1)	ME324890	0.89	0.85	1.26
Fibrinopeptide A (3-16)**	ME325037	0.71	0.73	1.55
vanillic alcohol sulfate	ME325474	0.78	0.69	1.52
Fibrinopeptide A*	ME325039	0.77	0.78	1.44
undecanedioate (C11-DC)	ME325462	0.80	0.79	1.41
2-methoxyacetaminophen sulfate*	ME324725	0.85	0.75	1.39
venlafaxine	ME325476	0.85	0.80	1.35
riboflavin (Vitamin B2)	ME325380	0.74	0.87	1.39
spermidine	ME325400	0.77	0.86	1.36
Fibrinopeptide A, phosphono-ser(3)*	ME325041	0.64	0.88	1.47
valsartan	ME325470	0.70	0.86	1.43
1,3,7-trimethylurate	ME324653	0.93	1.17	0.90
fluoxetine	ME325046	0.90	1.20	0.90
glycodeoxycholate 3-sulfate	ME325109	0.90	1.20	0.89
4-acetamidobenzoate	ME324797	0.92	1.24	0.84
p-cresol glucuronide*	ME325312	0.93	1.21	0.86
pipecolate	ME325348	0.95	1.20	0.85
leucylalanine	ME325175	0.96	1.12	0.91
4-hydroxy duloxetine glucuronide*	ME324810	0.96	1.14	0.90
caprylate (8:0)	ME324938	0.96	1.15	0.89
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (3)*	ME324928	0.90	1.16	0.94
leucylglycine	ME325176	0.89	1.15	0.96
verapamil	ME325477	0.93	1.14	0.93
1-methyl-5-imidazoleacetate	ME324665	0.92	1.13	0.94
taurodeoxycholic acid 3-sulfate	ME325433	0.92	1.14	0.94
1-ribosyl-imidazoleacetate*	ME324672	0.92	1.12	0.96
N-acetylputrescine	ME325243	0.92	1.12	0.96
2-hydroxynervonate*	ME324714	0.94	1.10	0.96
pyroglutamine*	ME325367	0.94	1.11	0.95
dihydrocaffeate sulfate (2)	ME324998	0.97	1.27	0.76
dopamine 3-O-sulfate	ME325015	0.92	1.29	0.80
lanthionine	ME325171	0.89	1.32	0.79
hydroquinone sulfate	ME325136	0.81	1.35	0.83
decanoylcarnitine (C10)	ME324982	0.82	1.28	0.89
eugenol sulfate	ME325033	0.84	1.29	0.86
adenosine 5^-monophosphate (AMP)	ME324868	1.05	0.86	1.09
N-formylanthranilic acid	ME325254	1.03	0.91	1.06
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	ME324750	1.03	0.89	1.08
eicosapentaenoate (EPA; 20:5n3)	ME325019	1.03	0.90	1.07
ectoine	ME325016	0.98	0.92	1.10
arachidonate (20:4n6)	ME324898	1.00	0.92	1.08
guanidinosuccinate	ME325117	1.01	0.91	1.08
escitalopram	ME325028	1.01	0.86	1.13
nicotinamide	ME325285	0.99	0.87	1.14
hexadecenedioate (C16:1-DC)*	ME325125	0.96	0.89	1.15
pregnenetriol sulfate*	ME325355	0.93	0.89	1.17
3-hydroxydecanoylcarnitine	ME324760	1.02	0.97	1.02
5-methyluridine (ribothymidine)	ME324837	1.01	0.97	1.02
didesmethylcitalopram*	ME324992	1.01	0.96	1.03
choline phosphate	ME324956	1.01	0.96	1.02
octadecenedioate (C18:1-DC)*	ME325298	1.01	0.96	1.02
2^-O-methylcytidine	ME324690	1.02	0.95	1.03
10-undecenoate (11:1n1)	ME324681	1.03	0.95	1.02
stearidonate (18:4n3)	ME325409	1.03	0.95	1.02
13-HODE + 9-HODE	ME324684	1.02	0.94	1.05
citalopram N-oxide*	ME324961	1.00	0.96	1.04
taurine	ME325427	1.01	0.95	1.04
cysteinylglycine	ME324977	1.04	0.98	0.98
5-oxoproline	ME324838	1.04	0.99	0.97
17alpha-hydroxypregnenolone 3-sulfate	ME324688	1.03	0.99	0.98
3-hydroxybutyroylglycine**	ME324758	1.03	0.99	0.98
eicosenoylcarnitine (C20:1)*	ME325022	1.04	1.00	0.96
glutamine	ME325084	1.03	1.00	0.97
ritalinic acid	ME325383	1.02	0.99	0.99
gamma-glutamylhistidine	ME325063	1.03	0.98	0.99
N-palmitoylglycine	ME325263	1.02	0.98	1.00
3-formylindole	ME324752	1.03	0.97	1.01
5-dodecenoate (12:1n7)	ME324830	1.03	0.97	1.00
2-hydroxystearate	ME324720	1.04	0.97	0.99
cholesterol	ME324954	1.04	0.96	1.00
hyocholate	ME325142	1.01	1.01	0.98
phosphate	ME325340	1.02	1.01	0.97
paroxetine	ME325326	0.99	1.02	0.99
succinate	ME325415	1.00	1.03	0.97
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	ME324749	1.00	1.01	0.99
malonate	ME325190	1.00	1.01	0.99
5-hydroxy-6-methoxy duloxetine sulfate*	ME324833	1.00	1.01	1.00
warfarin	ME325478	1.00	1.00	1.00
triamterene	ME325453	1.00	1.00	1.00
tramadol	ME325448	1.00	1.00	1.00
topiramate	ME325447	1.00	1.00	1.00
theanine	ME325438	1.00	1.00	1.00
tadalafil	ME325425	1.00	1.00	1.00
rosuvastatin lactone	ME325385	1.00	1.00	1.00
rosuvastatin	ME325384	1.00	1.00	1.00
resveratrol sulfate (1)*	ME325376	1.00	1.00	1.00
resveratrol disulfate (2)*	ME325375	1.00	1.00	1.00
resveratrol disulfate (1)*	ME325374	1.00	1.00	1.00
pioglitazone	ME325347	1.00	1.00	1.00
pantoprazole	ME325323	1.00	1.00	1.00
norfluoxetine	ME325289	1.00	1.00	1.00
mycophenolic acid glucuronide	ME325212	1.00	1.00	1.00
glyburide	ME325090	1.00	1.00	1.00
Fibrinopeptide B (1-11)**	ME325042	1.00	1.00	1.00
Fibrinopeptide A (5-16)*	ME325038	1.00	1.00	1.00
Fibrinopeptide A (2-15)**	ME325036	1.00	1.00	1.00
fexofenadine	ME325035	1.00	1.00	1.00
febuxostat	ME325034	1.00	1.00	1.00
diltiazem	ME325000	1.00	1.00	1.00
cimetidine	ME324957	1.00	1.00	1.00
chlorthalidone	ME324952	1.00	1.00	1.00
celecoxib	ME324947	1.00	1.00	1.00
atenolol	ME324909	1.00	1.00	1.00
ascorbate (Vitamin C)	ME324904	1.00	1.00	1.00
allopurinol riboside	ME324876	1.00	1.00	1.00
allopurinol	ME324875	1.00	1.00	1.00
10-hydroxywarfarin	ME324679	1.00	1.00	1.00
1-hydroxy-2-naphthalenecarboxylate	ME324661	1.00	1.00	1.00
alpha-tocopherol	ME324884	0.99	1.00	1.00
citrate	ME324964	0.99	1.01	1.00
oxypurinol	ME325311	0.99	0.99	1.02
indolelactate	ME325152	1.00	0.99	1.01
sitagliptin	ME325399	0.99	0.99	1.01
trazadone	ME325452	0.99	0.99	1.01
methionine	ME325202	1.00	0.98	1.02
salicylate	ME325392	1.01	0.98	1.01
(12 or 13)-methylmyristate (a15:0 or i15:0)	ME324642	0.96	1.01	1.02
ascorbic acid 2-sulfate	ME324905	0.96	1.02	1.01
N-oleoyltaurine	ME325261	0.98	1.00	1.02
O-sulfo-L-tyrosine	ME325294	0.98	1.00	1.02
dihomo-linoleoylcarnitine (C20:2)*	ME324997	0.98	1.02	1.00
indoleacetate	ME325150	0.98	1.01	1.01
tetradecadienoate (14:2)*	ME325436	0.98	1.01	1.01
2,6-dihydroxybenzoic acid	ME324696	0.96	1.09	0.95
3-methylglutarate/2-methylglutarate	ME324786	0.96	1.08	0.96
zolpidem	ME325483	0.96	1.08	0.96
N6,N6,N6-trimethyllysine	ME325277	0.98	1.08	0.94
ximenoylcarnitine (C26:1)*	ME325481	0.98	1.07	0.95
gamma-CEHC	ME325054	0.97	1.06	0.97
3-indoxyl sulfate	ME324775	0.97	1.05	0.98
6-hydroxyindole sulfate	ME324851	0.98	1.05	0.97
caproate (6:0)	ME324937	1.00	1.06	0.94
thymol sulfate	ME325444	1.01	1.06	0.93
octadecadienedioate (C18:2-DC)*	ME325295	0.99	1.06	0.95
nervonoylcarnitine (C24:1)*	ME325284	1.00	1.05	0.95
arabonate/xylonate	ME324896	1.00	1.04	0.96
betaine	ME324919	0.99	1.05	0.96
7-methylguanine	ME324854	0.93	1.04	1.02
N-desmethyl tramadol	ME325253	0.93	1.04	1.02
dimethylarginine (SDMA + ADMA)	ME325002	0.94	1.04	1.02
methionine sulfoxide	ME325204	0.94	1.04	1.02
alpha-ketoglutaramate*	ME324882	0.93	1.03	1.03
uracil	ME325464	0.93	1.04	1.03
ornithine	ME325307	0.97	1.03	1.01
gamma-glutamylthreonine	ME325068	0.97	1.03	1.00
pyridoxal	ME325365	0.97	1.03	1.00
pelargonate (9:0)	ME325327	0.95	1.05	1.00
N6-acetyllysine	ME325279	0.96	1.04	1.00
N-carbamoylaspartate	ME325251	0.96	1.04	1.00
(16 or 17)-methylstearate (a19:0 or i19:0)	ME324644	0.96	1.04	1.01
3-amino-2-piperidone	ME324746	0.95	1.04	1.01
thyroxine	ME325445	0.95	1.04	1.01
6-bromotryptophan	ME324850	0.95	1.03	1.01
EDTA	ME325017	0.96	1.03	1.01
3-aminoisobutyrate	ME324747	0.95	1.08	0.98
ribulonate/xylulonate/lyxonate*	ME325382	0.95	1.08	0.98
4-acetamidobutanoate	ME324798	0.94	1.07	0.99
N-formylmethionine	ME325255	0.94	1.06	0.99
choline	ME324955	0.91	1.09	1.00
homostachydrine*	ME325133	0.92	1.08	1.00
malate	ME325188	0.92	1.07	1.01
pseudouridine	ME325364	0.93	1.06	1.00
2-hydroxyarachidate*	ME324706	0.93	1.06	1.01
margaroylcarnitine (C17)*	ME325199	0.93	1.06	1.01
GlcNAc sulfate conjugate of C21H34O2 steroid**	ME325075	0.91	0.95	1.13
isobutyrylcarnitine (C4)	ME325157	0.93	0.96	1.12
tetradecanedioate (C14-DC)	ME325437	0.93	0.95	1.12
sphinganine-1-phosphate	ME325404	0.92	0.96	1.11
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	ME324675	0.92	0.96	1.12
dihomo-linolenate (20:3n3 or n6)	ME324994	0.91	0.96	1.12
androstenediol (3alpha, 17alpha) monosulfate (2)	ME324886	0.93	0.92	1.15
xanthurenate	ME325480	0.89	0.95	1.16
adenosine 5^-diphosphoribose (ADP-ribose)	ME324867	0.90	0.93	1.16
picolinate	ME325343	0.91	0.94	1.15
benzoate	ME324912	0.98	0.94	1.08
galactonate	ME325052	0.98	0.94	1.08
N2-acetyl,N6,N6-dimethyllysine	ME325273	0.97	0.95	1.08
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	ME324673	0.97	0.95	1.09
gamma-glutamyl-epsilon-lysine	ME325058	0.96	0.95	1.09
inosine 5^-monophosphate (IMP)	ME325156	0.95	0.97	1.08
gamma-glutamylmethionine	ME325066	0.95	0.98	1.07
dodecadienoate (12:2)*	ME325012	0.95	0.98	1.08
ethylmalonate	ME325030	0.94	0.98	1.08
adenosine 5^-diphosphate (ADP)	ME324866	0.95	0.96	1.09
docosapentaenoate (n6 DPA; 22:5n6)	ME325010	0.96	0.96	1.08
ibuprofen acyl glucuronide	ME325146	0.96	0.96	1.07
deoxycarnitine	ME324985	0.98	0.96	1.05
1,6-anhydroglucose	ME324656	0.99	0.96	1.06
cys-gly, oxidized	ME324972	0.98	0.96	1.06
uridine	ME325467	0.96	0.98	1.06
branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*	ME324929	0.96	0.97	1.06
hydroxypioglitazone (M-IV)	ME325141	0.97	0.97	1.06
3-methyl catechol sulfate (1)	ME324780	0.97	0.99	1.04
creatinine	ME324971	0.97	1.00	1.03
(2 or 3)-decenoate (10:1n7 or n8)	ME324645	0.99	0.98	1.04
tryptophan	ME325457	0.98	0.99	1.03
ranitidine	ME325373	0.98	0.98	1.03
ketopioglitazone	ME325166	0.98	0.98	1.03
lamotrigine	ME325170	0.98	0.98	1.03
flavin adenine dinucleotide (FAD)	ME325045	0.95	1.02	1.04
butyrate (4:0)	ME324930	0.94	1.02	1.04
myristoleate (14:1n5)	ME325215	0.94	1.02	1.04
5alpha-androstan-3alpha,17beta-diol monosulfate (1)	ME324841	0.93	1.02	1.05
retinal	ME325377	0.94	1.01	1.05
vanillylmandelate (VMA)	ME325475	0.93	1.01	1.05
N-acetylarginine	ME325228	0.96	1.00	1.04
pregnenediol disulfate (C21H34O8S2)*	ME325352	0.96	1.00	1.04
taurolithocholate 3-sulfate	ME325434	0.95	1.00	1.04
maltotriose	ME325193	0.95	1.01	1.04
stearate (18:0)	ME325408	0.95	1.01	1.04
docosahexaenoylcarnitine (C22:6)*	ME325007	0.95	1.00	1.05
desmethylnaproxen	ME324990	0.95	0.99	1.05
retinol (Vitamin A)	ME325378	0.95	0.99	1.05
valylglycine	ME325471	0.95	1.00	1.06
allo-threonine	ME324874	0.94	1.00	1.06
N-stearoyltaurine	ME325266	0.94	1.00	1.05
docosapentaenoate (n3 DPA; 22:5n3)	ME325009	0.86	0.99	1.14
2^-deoxyuridine	ME324689	0.88	1.00	1.12
linoleate (18:2n6)	ME325180	0.88	1.00	1.12
O-desmethylvenlafaxine	ME325293	0.90	0.98	1.12
ascorbic acid 3-sulfate*	ME324906	0.92	0.99	1.10
linolenate [alpha or gamma; (18:3n3 or 6)]	ME325181	0.91	0.99	1.10
3beta,7alpha-dihydroxy-5-cholestenoate	ME324795	0.90	1.00	1.11
O-desmethyltramadol glucuronide	ME325292	0.90	0.99	1.11
3-hydroxylaurate	ME324766	0.89	1.01	1.10
21-hydroxypregnenolone disulfate	ME324734	0.90	1.00	1.09
3-hydroxymyristate	ME324767	0.90	1.00	1.10
phosphoethanolamine	ME325341	0.93	1.00	1.08
myristate (14:0)	ME325214	0.92	0.99	1.08
pantoate	ME325322	0.93	0.99	1.08
16-hydroxypalmitate	ME324686	0.90	1.02	1.08
phenylpyruvate	ME325339	0.90	1.02	1.08
sulfate*	ME325424	0.91	1.02	1.07
carnitine	ME324941	0.91	1.01	1.07
N-acetylglutamine	ME325236	0.91	1.01	1.08
sphingosine 1-phosphate	ME325406	0.91	1.01	1.08
pentadecanoate (15:0)	ME325328	0.92	1.02	1.06
5alpha-androstan-3beta,17beta-diol monosulfate (2)	ME324845	0.93	1.01	1.07
N-acetylasparagine	ME325229	0.92	1.01	1.07
N-acetyl-beta-alanine	ME325224	0.92	1.01	1.07
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	ME324693	0.75	1.16	1.09
cytidine	ME324980	0.75	1.17	1.08
3-hydroxyoleoylcarnitine	ME324770	0.74	1.14	1.11
glycochenodeoxycholate 3-sulfate	ME325103	0.74	1.15	1.10
isocitric lactone	ME325160	0.77	1.16	1.06
N2,N2-dimethylguanosine	ME325271	0.77	1.15	1.07
N,N,N-trimethyl-5-aminovalerate	ME325218	0.77	1.15	1.07
cysteine s-sulfate	ME324975	0.76	1.14	1.10
palmitoleoylcarnitine (C16:1)*	ME325316	0.76	1.15	1.09
N-palmitoyltaurine	ME325265	0.77	1.14	1.08
myristoylcarnitine (C14)	ME325217	0.78	1.12	1.09
2-hydroxyphenylacetate	ME324717	0.77	1.13	1.09
N2-acetyllysine	ME325275	0.77	1.13	1.09
5-dodecenoylcarnitine (C12:1)	ME324831	0.71	1.13	1.15
gamma-glutamylleucine	ME325065	0.71	1.13	1.16
gamma-glutamyltyrosine	ME325070	0.70	1.14	1.15
N-acetylglucosaminylasparagine	ME325234	0.69	1.15	1.15
8-methoxykynurenate	ME324857	0.69	1.18	1.12
carnitine of C10H14O2 (5)*	ME324942	0.69	1.17	1.13
hexadecasphingosine (d16:1)*	ME325124	0.71	1.17	1.11
cystine	ME324979	0.71	1.15	1.13
gamma-glutamylphenylalanine	ME325067	0.72	1.16	1.12
pantothenate	ME325324	0.72	1.15	1.12
5-methylthioadenosine (MTA)	ME324836	0.67	1.22	1.10
3-hydroxyhexanoylcarnitine (1)	ME324763	0.70	1.22	1.07
hydroxyasparagine**	ME325139	0.71	1.20	1.08
2-hydroxyhippurate (salicylurate)	ME324710	0.70	1.21	1.08
sedoheptulose	ME325396	0.71	1.21	1.08
androstenediol (3beta,17beta) disulfate (1)	ME324888	0.72	1.19	1.09
heptenedioate (C7:1-DC)*	ME325121	0.72	1.18	1.09
5alpha-androstan-3alpha,17beta-diol monosulfate (2)	ME324842	0.74	1.18	1.08
N1-methylinosine	ME325270	0.73	1.19	1.07
3-hydroxy-2-ethylpropionate	ME324753	0.78	1.06	1.15
glycine conjugate of C10H14O2 (1)*	ME325100	0.78	1.06	1.15
6-oxopiperidine-2-carboxylate	ME324852	0.76	1.06	1.17
hexadecadienoate (16:2n6)	ME325122	0.77	1.06	1.17
4-cholesten-3-one	ME324806	0.74	1.07	1.18
N-acetylphenylalanine	ME325242	0.75	1.07	1.17
kynurenate	ME325167	0.75	1.08	1.16
maltotetraose	ME325192	0.76	1.07	1.16
palmitoleate (16:1n7)	ME325315	0.74	1.09	1.16
N-acetyltyrosine	ME325249	0.75	1.11	1.14
propionylcarnitine (C3)	ME325361	0.73	1.11	1.15
N-acetylglucosamine/N-acetylgalactosamine	ME325233	0.77	1.12	1.11
gulonate*	ME325118	0.76	1.11	1.12
homocitrulline	ME325132	0.76	1.12	1.12
10-nonadecenoate (19:1n9)	ME324680	0.79	1.09	1.12
linoleoyl ethanolamide	ME325183	0.78	1.09	1.12
sphingosine	ME325405	0.78	1.09	1.13
3-hydroxyoctanoate	ME324768	0.77	1.09	1.14
aspartate	ME324908	0.76	1.09	1.14
sphingadienine	ME325402	0.76	1.09	1.14
pimelate (C7-DC)	ME325345	0.76	1.10	1.13
urate	ME325465	0.77	1.10	1.13
chenodeoxycholate	ME324950	0.77	1.09	1.13
tetradecadienedioate (C14:2-DC)*	ME325435	0.77	1.09	1.13
taurochenodeoxycholic acid 3-sulfate	ME325429	0.85	0.96	1.19
androsterone glucuronide	ME324892	0.85	0.97	1.17
beta-hydroxyisovaleroylcarnitine	ME324917	0.85	0.97	1.18
tridecenedioate (C13:1-DC)*	ME325454	0.81	1.00	1.19
prolylglycine	ME325360	0.82	1.00	1.17
2-naphthol sulfate	ME324730	0.83	1.00	1.17
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)*	ME324927	0.83	1.00	1.17
palmitoyl ethanolamide	ME325318	0.83	1.01	1.16
beta-citrylglutamate	ME324914	0.84	1.00	1.16
(N(1) + N(8))-acetylspermidine	ME324647	0.84	1.00	1.16
succinoyltaurine	ME325417	0.76	1.04	1.19
glycine conjugate of C10H12O2*	ME325099	0.78	1.03	1.18
2-aminobutyrate	ME324699	0.77	1.03	1.19
N-acetylleucine	ME325239	0.78	1.03	1.19
2-hydroxy-3-methylvalerate	ME324703	0.79	1.04	1.17
3,5-dichloro-2,6-dihydroxybenzoic acid	ME324739	0.80	1.02	1.17
3-methylcytidine	ME324784	0.80	1.03	1.16
caffeic acid sulfate	ME324934	0.80	1.03	1.16
hydroxybupropion	ME325140	0.80	1.05	1.15
alpha-hydroxyisovalerate	ME324880	0.81	1.05	1.14
beta-alanine	ME324913	0.82	1.04	1.14
alpha-hydroxycaproate	ME324878	0.81	1.16	1.02
glycocholenate sulfate*	ME325107	0.80	1.15	1.04
ribonate	ME325381	0.81	1.15	1.03
3,4-dihydroxybutyrate	ME324737	0.81	1.14	1.04
acisoga	ME324863	0.82	1.14	1.03
erythronate*	ME325027	0.82	1.12	1.05
pyruvate	ME325369	0.82	1.13	1.05
1-stearoyl-GPG (18:0)	ME324676	0.82	1.12	1.06
N-acetylglutamate	ME325235	0.81	1.12	1.06
3-hydroxy-3-methylglutarate	ME324755	0.79	1.14	1.07
C-glycosyltryptophan	ME324933	0.80	1.14	1.06
glyco-beta-muricholate**	ME325101	0.80	1.14	1.06
laurylcarnitine (C12)	ME325173	0.87	1.11	1.02
1-methylhistidine	ME324666	0.86	1.10	1.03
fumarate	ME325050	0.86	1.11	1.03
N-methylpipecolate	ME325257	0.86	1.11	1.03
N6-succinyladenosine	ME325282	0.84	1.12	1.04
1-palmitoyl-GPG (16:0)*	ME324671	0.85	1.12	1.03
gamma-tocopherol/beta-tocopherol	ME325072	0.85	1.12	1.02
glucuronide of piperine metabolite C17H21NO3 (4)*	ME325081	0.84	1.09	1.07
kynurenine	ME325168	0.84	1.08	1.07
bilirubin (E,E)*	ME324921	0.83	1.08	1.08
3-(4-hydroxyphenyl)lactate	ME324743	0.83	1.09	1.08
aconitate [cis or trans]	ME324864	0.83	1.09	1.07
2-keto-3-deoxy-gluconate	ME324722	0.83	1.11	1.06
3-(3-amino-3-carboxypropyl)uridine*	ME324741	0.83	1.10	1.06
ribitol	ME325379	0.83	1.10	1.06
glucose	ME325077	0.84	1.10	1.06
oleoyl ethanolamide	ME325303	0.84	1.09	1.06
5,6-dihydrouridine	ME324826	0.85	1.10	1.05
glucuronide of C10H18O2 (8)*	ME325080	0.84	1.11	1.05
4-hydroxyhippurate	ME324815	0.81	1.19	1.00
glycolithocholate sulfate*	ME325112	0.81	1.19	0.99
4-hydroxy-2-oxoglutaric acid	ME324811	0.87	1.15	0.98
perfluorooctanoate (PFOA)	ME325331	0.88	1.12	0.99
gamma-carboxyglutamate	ME325053	0.83	1.15	1.01
cis-4-decenoylcarnitine (C10:1)	ME324960	0.84	1.14	1.02
1-methyl-4-imidazoleacetate	ME324664	0.85	1.14	1.01
3-methylglutaconate	ME324785	0.84	1.14	1.01
2-aminoheptanoate	ME324700	0.85	1.16	0.98
phenylacetylglutamine	ME325334	0.85	1.16	0.99
dimethylglycine	ME325003	0.84	1.17	0.99
gluconate	ME325076	0.83	1.17	1.00
phenylalanine	ME325335	0.91	1.03	1.06
(14 or 15)-methylpalmitate (a17:0 or i17:0)	ME324643	0.90	1.04	1.06
lysine	ME325187	0.90	1.04	1.06
hydroxy-N6,N6,N6-trimethyllysine*	ME325138	0.92	1.05	1.04
cysteine	ME324974	0.91	1.04	1.04
N-acetyltaurine	ME325245	0.91	1.04	1.05
N6,N6-dimethyllysine	ME325278	0.92	1.03	1.04
eicosenoate (20:1)	ME325021	0.92	1.03	1.05
linoleoylcarnitine (C18:2)*	ME325184	0.91	1.03	1.05
threonate	ME325442	0.89	1.05	1.06
myo-inositol	ME325213	0.89	1.06	1.05
5,6-dihydrothymine	ME324825	0.90	1.05	1.05
linolenoylcarnitine (C18:3)*	ME325182	0.89	1.05	1.05
delta-CEHC	ME324984	0.87	1.06	1.06
2-methylbutyrylglycine	ME324728	0.88	1.06	1.06
undecenoylcarnitine (C11:1)	ME325463	0.88	1.06	1.06
gamma-glutamyl-alpha-lysine	ME325057	0.87	1.05	1.07
N-acetylvaline	ME325250	0.88	1.05	1.07
perfluorooctanesulfonate (PFOS)	ME325330	0.86	1.07	1.07
arachidonoylcarnitine (C20:4)	ME324899	0.86	1.09	1.05
1-linoleoyl-GPG (18:2)*	ME324663	0.86	1.08	1.06
2-pyrrolidinone	ME324733	0.86	1.08	1.06
allantoin	ME324872	0.88	1.08	1.03
N-acetylneuraminate	ME325241	0.87	1.08	1.04
3-hydroxyoleate*	ME324769	0.89	1.07	1.04
oleoylcarnitine (C18:1)	ME325304	0.88	1.07	1.05
N1-methyladenosine	ME325269	0.88	1.07	1.05
N-acetylalanine	ME325226	0.88	1.07	1.05
2-hydroxyglutarate	ME324709	0.87	1.07	1.05
dihomo-linolenoylcarnitine (C20:3n3 or 6)*	ME324996	0.87	1.08	1.05
o-cresol sulfate	ME325291	0.89	1.10	1.01
orotate	ME325308	0.89	1.10	1.01
N-acetylserine	ME325244	0.90	1.09	1.01
2-hydroxy-4-(methylthio)butanoic acid	ME324704	0.89	1.09	1.02
androstenediol (3beta,17beta) monosulfate (2)	ME324891	0.89	1.09	1.02
arabitol/xylitol	ME324895	0.90	1.08	1.02
N-acetylmethionine	ME325240	0.90	1.07	1.02
proline	ME325359	0.90	1.07	1.03
alanine	ME324871	0.91	1.06	1.03
N-acetylthreonine	ME325247	0.90	1.06	1.03
phenyllactate (PLA)	ME325338	0.90	1.06	1.03
palmitate (16:0)	ME325314	0.85	1.06	1.09
margarate (17:0)	ME325198	0.84	1.06	1.09
palmitoylcarnitine (C16)	ME325320	0.84	1.06	1.09
N,N,N-trimethyl-alanylproline betaine (TMAP)	ME325219	0.86	1.05	1.09
oleate/vaccenate (18:1)	ME325302	0.86	1.05	1.09
3-ureidopropionate	ME324793	0.85	1.06	1.08
glutarylcarnitine (C5-DC)	ME325089	0.86	1.06	1.08
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	ME324853	0.88	1.04	1.09
cysteinylglycine disulfide*	ME324978	0.87	1.04	1.09
2,3-dihydroxy-2-methylbutyrate	ME324692	0.85	1.05	1.10
homoarginine	ME325131	0.85	1.04	1.11
androstenediol (3beta,17beta) disulfate (2)	ME324889	0.85	1.04	1.11
docosadienoate (22:2n6)	ME325004	0.85	1.04	1.11
sphinganine	ME325403	0.86	1.02	1.11
N-acetyltryptophan	ME325248	0.86	1.04	1.10
thioproline	ME325441	0.86	1.04	1.10
dodecenedioate (C12:1-DC)*	ME325014	0.87	1.03	1.10
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*	ME324748	0.86	1.03	1.10
4-methyl-2-oxopentanoate	ME324820	0.86	1.03	1.11
urea	ME325466	0.85	1.02	1.13
dihomo-linoleate (20:2n6)	ME324993	0.83	1.03	1.14
valine	ME325469	0.83	1.04	1.13
S-adenosylhomocysteine (SAH)	ME325387	0.83	1.04	1.13
3-methyl-2-oxovalerate	ME324782	0.83	1.04	1.13
oleamide	ME325301	0.83	1.04	1.13
acetylcarnitine (C2)	ME324862	0.84	1.04	1.12
alpha-hydroxyisocaproate	ME324879	0.84	1.04	1.12
adenine	ME324865	0.82	1.06	1.12
3-ethylcatechol sulfate (1)	ME324751	0.82	1.05	1.12
N-acetylcarnosine	ME325231	0.82	1.05	1.13
fructose	ME325048	0.83	1.06	1.11
3-hydroxydecanoate	ME324759	0.84	1.05	1.11
3-methyl-2-oxobutyrate	ME324781	0.84	1.05	1.11
gamma-glutamyltryptophan	ME325069	0.83	1.05	1.11
leucine	ME325174	0.83	1.05	1.11
myristoleoylcarnitine (C14:1)*	ME325216	0.80	1.11	1.08
lactate	ME325169	0.80	1.12	1.07
N1-Methyl-4-pyridone-3-carboxamide	ME325268	0.80	1.12	1.08
N6-carbamoylthreonyladenosine	ME325280	0.79	1.11	1.09
isovalerate (i5:0)	ME325163	0.81	1.10	1.09
xylose	ME325482	0.80	1.10	1.09
4-hydroxyphenylpyruvate	ME324818	0.80	1.08	1.11
3-hydroxyhexanoate	ME324762	0.80	1.09	1.10
glycerol	ME325092	0.80	1.09	1.11
2R,3R-dihydroxybutyrate	ME324735	0.82	1.09	1.09
alpha-ketoglutarate	ME324883	0.82	1.08	1.10
isoleucine	ME325161	0.82	1.07	1.11
pregnenetriol disulfate*	ME325354	0.82	1.07	1.11
(S)-a-amino-omega-caprolactam	ME324650	0.83	1.07	1.10
tyrosine	ME325460	0.83	1.07	1.10
3-methoxycatechol sulfate (2)	ME324777	1.23	1.04	0.73
propyl 4-hydroxybenzoate sulfate	ME325363	1.23	1.05	0.72
1,3-dimethylurate	ME324654	1.21	1.03	0.76
theophylline	ME325440	1.21	1.03	0.77
4-guanidinobutanoate	ME324809	1.24	1.02	0.75
pentose acid*	ME325329	1.24	1.00	0.76
1-methylurate	ME324668	1.28	0.95	0.77
3b-hydroxy-5-cholenoic acid	ME324794	1.25	0.94	0.81
S-methylcysteine sulfoxide	ME325390	1.24	0.98	0.78
4-methoxyphenol sulfate	ME324819	1.23	0.98	0.80
gentisate	ME325074	1.22	0.98	0.80
pregnanolone/allopregnanolone sulfate	ME325351	1.22	1.16	0.63
trigonelline (N^-methylnicotinate)	ME325455	1.38	1.05	0.58
2-acetamidophenol sulfate	ME324697	1.27	1.07	0.66
2,3-dihydroxyisovalerate	ME324694	1.32	1.04	0.65
catechol sulfate	ME324946	1.30	1.03	0.68
sucrose	ME325419	1.29	1.05	0.67
2-methoxyresorcinol sulfate	ME324726	1.46	0.87	0.68
3-methoxycatechol sulfate (1)	ME324776	1.41	0.93	0.68
3-methylxanthine	ME324789	1.40	0.89	0.72
5alpha-pregnan-diol disulfate	ME324849	1.41	0.90	0.70
histidine betaine (hercynine)*	ME325130	1.32	0.77	0.92
4-ethylcatechol sulfate	ME324807	1.34	0.80	0.88
glycerophosphoinositol*	ME325096	1.31	0.81	0.89
N-oxalyl glycine (NOG)	ME325262	1.29	0.89	0.82
androsterone sulfate	ME324893	1.26	0.89	0.85
epiandrosterone sulfate	ME325023	1.26	0.89	0.85
12,13-DiHOME	ME324683	1.26	0.83	0.92
eicosanedioate (C20-DC)	ME325018	1.26	0.85	0.90
N,N-dimethylalanine	ME325220	1.26	0.86	0.89
butyrylglycine	ME324932	1.32	0.83	0.86
1-methylxanthine	ME324669	1.30	0.86	0.85
gamma-glutamylglycine	ME325062	1.29	0.85	0.87
glycine	ME325098	1.28	0.84	0.88
isovalerylglycine	ME325165	1.29	0.83	0.88
4-vinylphenol sulfate	ME324824	1.33	0.94	0.74
behenoylcarnitine (C22)*	ME324911	1.33	0.92	0.76
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	ME325346	1.32	0.92	0.77
stachydrine	ME325407	1.36	0.91	0.74
3-hydroxystachydrine*	ME324773	1.36	0.88	0.77
theobromine	ME325439	1.36	0.89	0.76
phytanate	ME325342	1.36	0.85	0.80
4-acetylcatechol sulfate (1)	ME324802	1.34	0.84	0.83
pristanate	ME325357	1.33	0.86	0.82
1,2,3-benzenetriol sulfate (1)	ME324651	1.34	0.86	0.81
arachidoylcarnitine (C20)*	ME324901	1.34	0.85	0.82
propionylglycine	ME325362	1.40	0.80	0.81
quinine	ME325371	1.37	0.82	0.82
serotonin	ME325398	1.20	0.75	1.05
3-hydroxypyridine sulfate	ME324771	1.17	0.74	1.09
dehydroepiandrosterone sulfate (DHEA-S)	ME324983	1.15	0.78	1.07
N-methylhydroxyproline**	ME325256	1.13	0.82	1.05
1-methylnicotinamide	ME324667	1.10	0.84	1.06
N2-acetyl,N6-methyllysine	ME325274	1.11	0.84	1.05
desmethylcitalopram*	ME324989	1.09	0.79	1.12
citalopram propionate*	ME324962	1.11	0.81	1.09
pregnenediol sulfate (C21H34O5S)*	ME325353	1.10	0.81	1.09
1-oleoyl-GPS (18:1)	ME324670	1.27	0.74	1.00
ergothioneine	ME325024	1.26	0.78	0.97
isobutyrylglycine	ME325158	1.17	0.87	0.97
2-hydroxymyristate	ME324713	1.16	0.86	0.99
dodecanedioate (C12-DC)	ME325013	1.16	0.84	1.00
etiocholanolone glucuronide	ME325032	1.21	0.85	0.95
laurate (12:0)	ME325172	1.20	0.83	0.97
pregnenolone sulfate	ME325356	1.21	0.83	0.96
1-stearoyl-GPS (18:0)*	ME324677	1.19	0.82	0.99
glycerophosphorylcholine (GPC)	ME325097	1.18	0.80	1.02
oxalate (ethanedioate)	ME325310	1.09	0.95	0.96
4-methylnonanoylcarnitine	ME324823	1.10	0.95	0.96
imidazole lactate	ME325147	1.10	0.95	0.95
2-hydroxypalmitate	ME324716	1.05	0.95	1.00
bilirubin (Z,Z)	ME324923	1.05	0.94	1.00
N6-methyllysine	ME325281	1.06	0.95	0.99
S-1-pyrroline-5-carboxylate	ME325386	1.07	0.95	0.98
threonine	ME325443	1.07	0.95	0.98
N-acetyl-isoputreanine	ME325225	1.08	0.95	0.97
N-oleoylserine	ME325260	1.08	0.94	0.98
trans-2-hexenoylglycine	ME325449	1.06	0.97	0.98
3-sulfo-L-alanine	ME324792	1.05	0.97	0.98
nonadecanoate (19:0)	ME325287	1.05	0.97	0.98
stearoylcarnitine (C18)	ME325411	1.07	0.97	0.96
1,5-anhydroglucitol (1,5-AG)	ME324655	1.07	0.97	0.97
sarcosine	ME325394	1.07	0.96	0.97
carboxyethyl-GABA	ME324939	1.08	0.98	0.94
citrulline	ME324965	1.08	0.97	0.95
cortisone	ME324967	1.08	0.97	0.95
bilirubin (E,Z or Z,E)*	ME324922	1.06	0.98	0.95
2-hydroxysebacate	ME324719	1.06	0.99	0.95
methylmalonate (MMA)	ME325208	1.06	0.99	0.95
arachidate (20:0)	ME324897	1.07	0.99	0.94
cerotoylcarnitine (C26)*	ME324948	1.07	1.00	0.94
pro-hydroxy-pro	ME325358	1.12	0.97	0.91
5-hydroxyhexanoate	ME324834	1.11	0.96	0.93
N-acetyl-2-aminooctanoate*	ME325223	1.10	0.97	0.93
1-linoleoyl-GPA (18:2)*	ME324662	1.09	0.99	0.92
methylsuccinate	ME325209	1.09	0.99	0.92
4-hydroxychlorothalonil	ME324812	1.10	0.98	0.92
5alpha-androstan-3alpha,17alpha-diol monosulfate	ME324839	1.11	0.98	0.92
eicosenedioate (C20:1-DC)*	ME325020	1.07	0.89	1.04
levulinate (4-oxovalerate)	ME325178	1.06	0.91	1.03
docosahexaenoate (DHA; 22:6n3)	ME325006	1.12	0.89	0.99
trans-urocanate	ME325451	1.10	0.88	1.02
serine	ME325397	1.12	0.91	0.96
gamma-glutamylglutamine	ME325061	1.13	0.92	0.96
N-palmitoylserine	ME325264	1.13	0.92	0.95
sulfate of piperine metabolite C18H21NO3 (1)*	ME325422	1.07	0.92	1.01
sulfate of piperine metabolite C18H21NO3 (3)*	ME325423	1.08	0.92	1.00
9-hydroxystearate	ME324859	1.09	0.92	0.99
succinimide	ME325416	1.09	0.93	0.99
palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0)	ME325319	1.10	0.93	0.97
arginine	ME324903	1.10	0.92	0.98
asparagine	ME324907	1.11	0.91	0.98
docosadioate (C22-DC)	ME325005	1.20	0.87	0.93
N-acetylhistidine	ME325238	1.20	0.88	0.92
2-methylserine	ME324729	1.17	0.89	0.95
maltose	ME325191	1.18	0.90	0.93
histidine	ME325129	1.15	0.92	0.93
tartronate (hydroxymalonate)	ME325426	1.16	0.92	0.93
2-hydroxyphytanate*	ME324718	1.16	0.94	0.90
3beta-hydroxy-5-cholestenoate	ME324796	1.17	0.93	0.91
N-acetyltheanine	ME325246	1.17	0.92	0.91
glycerophosphoethanolamine	ME325094	1.13	0.94	0.93
glycerate	ME325091	1.12	0.95	0.94
2-hydroxylaurate	ME324712	1.12	0.95	0.93
3-methyladipate	ME324783	1.12	0.95	0.93
2-hydroxyoctanoate	ME324715	1.15	0.94	0.92
androstenediol (3alpha, 17alpha) monosulfate (3)	ME324887	1.14	0.95	0.91
5alpha-androstan-3beta,17alpha-diol disulfate	ME324843	1.15	1.00	0.86
lignoceroylcarnitine (C24)*	ME325179	1.18	0.97	0.85
4-methylcatechol sulfate	ME324821	1.19	0.97	0.84
7-methylurate	ME324855	1.19	0.98	0.84
branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*	ME324926	1.20	0.98	0.82
paraxanthine	ME325325	1.19	1.00	0.82
2-aminooctanoate	ME324701	1.24	0.89	0.88
2-ketocaprylate	ME324723	1.21	0.90	0.89
gamma-glutamylcitrulline*	ME325059	1.21	0.91	0.89
2-hydroxydecanoate	ME324708	1.23	0.92	0.86
3,7-dimethylurate	ME324740	1.22	0.94	0.85
pyrraline	ME325368	1.22	0.94	0.84
3-hydroxystearate	ME324774	1.20	0.95	0.86
N-delta-acetylornithine	ME325252	1.19	0.95	0.86
1-stearoyl-2-oleoyl-GPG (18:0/18:1)	ME324674	1.19	0.94	0.88
9,10-DiHOME	ME324858	1.19	0.93	0.89
caprate (10:0)	ME324936	1.08	1.06	0.85
S-methylcysteine	ME325389	1.07	1.08	0.85
4-methylguaiacol sulfate	ME324822	1.11	1.04	0.85
5-acetylamino-6-amino-3-methyluracil	ME324828	1.11	1.05	0.85
3-methylhistidine	ME324788	1.09	1.04	0.87
heptanoate (7:0)	ME325120	1.10	1.03	0.87
N-acetylaspartate (NAA)	ME325230	1.04	1.02	0.94
N2,N5-diacetylornithine	ME325272	1.06	1.04	0.90
p-cresol sulfate	ME325313	1.06	1.05	0.89
iminodiacetate (IDA)	ME325149	1.07	1.01	0.93
sulfate of piperine metabolite C16H19NO3 (2)*	ME325420	1.08	1.01	0.91
sulfate of piperine metabolite C16H19NO3 (3)*	ME325421	1.07	1.02	0.91
methionine sulfone	ME325203	1.03	1.05	0.92
cortisol	ME324966	1.03	1.06	0.91
glycerophosphoglycerol	ME325095	1.02	1.07	0.91
erucate (22:1n9)	ME325025	1.02	1.10	0.88
phenylalanyltryptophan	ME325337	1.05	1.07	0.88
indolin-2-one	ME325154	1.04	1.09	0.87
trans-4-hydroxyproline	ME325450	1.05	1.08	0.87
1,7-dimethylurate	ME324657	1.00	1.17	0.83
guaiacol sulfate	ME325115	1.01	1.19	0.80
caffeine	ME324935	1.14	1.15	0.72
2-aminophenol sulfate	ME324702	1.12	1.08	0.80
5-acetylamino-6-formylamino-3-methyluracil	ME324829	1.11	1.09	0.80
hippurate	ME325128	1.08	1.13	0.79
piperine	ME325349	1.09	1.13	0.78
cetirizine	ME324949	1.10	1.51	0.40
betonicine	ME324920	1.12	1.38	0.50
N-acetylalliin	ME325227	1.08	1.30	0.62
vanillactate	ME325472	0.61	1.72	0.67
cholate	ME324953	0.84	1.56	0.59
erythritol	ME325026	0.76	1.56	0.68

Factors:

F1	Group:Lean
F2	Group:Obese neuropathy
F3	Group:Obese non neuropathy

Data matrix