Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST001937

(Analysis AN003150): Average values per metabolite and experimental factor (Units:peak height)

Metabolite structure	F1	F2	F3
1,3,5(10)-estratrien-3,6- beta-17-beta-triol	1.04	-	1.01
1,5-anhydroglucitol	0.92	0.91	0.69
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-1	0.96	1.06	1.00
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-2	0.77	0.32	0.85
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-3	1.22	1.00	0.97
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-4	0.76	1.07	0.65
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-5	1.20	1.00	0.93
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-6	1.11	0.98	0.88
1-hexadecanol	1.04	1.02	0.96
1-hydroxyanthraquinone prod	0.89	0.85	0.82
1-indanol-1	1.08	1.01	0.96
1-indanol-2	1.10	1.01	0.99
1-methylhydantoin	1.01	1.01	0.99
1-monopalmitin	1.02	1.07	0.98
1-monostearin-1	1.02	1.06	0.92
1-monostearin-2	1.01	1.04	0.96
2,3-dimethylsuccinic acid-1	1.04	0.96	0.92
2,3-dimethylsuccinic acid-2	1.46	1.02	1.23
2,4-diaminobutyric acid-1	1.17	0.85	1.05
2,4-diaminobutyric acid-2	1.02	1.05	0.96
2-(4-hydroxyphenyl)ethanol-1	0.99	1.04	0.90
2-(4-hydroxyphenyl)ethanol-2	1.05	1.03	0.97
2,6-diaminopimelic acid-1	1.04	0.96	1.00
2,6-diaminopimelic acid-2	1.03	0.97	0.99
2-amino-2-methyl-1,3-propandiol	0.87	0.85	0.64
2^-deoxyadenosine-1	1.21	0.78	1.12
2^-deoxyadenosine-2	0.98	1.20	0.93
2^-deoxyadenosine-3	1.19	1.08	0.95
2^-deoxyadenosine 5^-monophosphate-1	1.22	0.93	1.01
2^-deoxyadenosine 5^-monophosphate-2	1.12	1.00	0.97
2^-deoxycytidine 5^-triphosphate-1	1.12	0.97	1.00
2^-deoxycytidine 5^-triphosphate-2	1.06	1.06	1.01
2^-deoxycytidine 5^-triphosphate-3	1.03	0.82	1.09
2-deoxyerythritol-1	1.13	0.94	0.95
2-deoxyerythritol-2	1.09	0.95	0.95
2-deoxyerythritol-3	1.09	0.96	0.94
2-deoxyerythritol-4	1.17	1.00	1.02
2-deoxyerythritol-5	1.16	0.99	0.99
2-deoxytetronic acid-1	0.95	1.21	0.86
2-deoxytetronic acid-2	0.83	1.26	0.77
2-hydroxyatrazin-1	0.95	0.57	0.74
2-hydroxyatrazin-2	1.03	0.92	1.11
2-hydroxybiphenyl	1.01	1.09	0.93
2-hydroxybutanoic acid-1	1.10	0.92	1.02
2-hydroxybutanoic acid-2	1.51	1.00	1.07
2-hydroxybutanoic acid-3	0.96	1.16	0.90
2-hydroxybutanoic acid-4	-	0.76	0.66
2-isopropylmalic acid	1.15	0.82	0.93
2-ketobutyric acid	1.18	0.89	1.04
2-ketoisocaproic acid-1	1.06	1.01	0.94
2-ketoisocaproic acid-2	1.04	1.02	0.93
2-ketovaleric acid	1.07	0.97	0.95
2-mercaptoethanesulfonic acid	1.07	1.05	0.96
2-methylglutaric acid	1.00	0.63	0.68
2-monopalmitin	1.03	1.08	1.01
2-picolinic acid-1	1.13	1.44	1.02
2-picolinic acid-2	0.96	1.06	-
3,4-dihydroxymandelic acid	0.98	0.94	0.95
3,5-dihydroxyphenylglycine	1.40	0.94	0.96
3-aminoisobutyric acid	1.05	1.10	0.94
3-aminopropionitrile	1.14	1.02	0.98
3-beta-5-alpha-6-beta-trihydroxycholestan-1	0.97	1.12	0.95
3-beta-5-alpha-6-beta-trihydroxycholestan-2	1.01	1.13	0.91
3-beta-5-alpha-6-beta-trihydroxycholestan-3	1.08	1.00	0.96
3-beta-5-alpha-6-beta-trihydroxycholestan-4	1.15	1.03	0.90
3-hydroxybenzyl alcohol	1.03	1.18	0.94
3-hydroxyflavone	1.03	1.29	0.97
3-hydroxynorvaline	1.17	0.93	0.98
3-hydroxypalmitic acid-1	1.31	0.47	1.12
3-hydroxypalmitic acid-2	0.92	1.09	1.00
3-hydroxyphenylacetic acid	1.05	1.04	1.00
3-hydroxypropionic acid-1	1.08	0.94	0.98
3-hydroxypropionic acid-2	1.00	0.98	0.94
3-hydroxypropionic acid dimer 1	1.09	1.00	0.98
3-hydroxypyridine	1.13	0.95	1.00
3-methylamino-1,2-propandiol	1.07	1.00	0.94
3-methylbenzylalcohol-1	1.07	0.96	0.98
3-methylbenzylalcohol-2	1.19	0.84	1.02
3-methylbenzylalcohol-3	1.03	1.02	0.93
3-methylbenzylalcohol-4	0.97	1.16	0.99
3-methyloxyindole	1.26	1.02	1.12
3-ureidopropionate	1.10	0.98	1.05
4^,5-dihydroxy-7-methoxyisoflavone-1	0.86	1.48	0.89
4^,5-dihydroxy-7-methoxyisoflavone-2	0.93	1.40	0.92
4^,5-dihydroxy-7-methoxyisoflavone-3	1.01	1.10	0.93
4^,5-dihydroxy-7-methoxyisoflavone-4	0.98	0.99	0.99
4^,7-dihydroxyflavanone-1	1.42	0.81	0.29
4^,7-dihydroxyflavanone-2	1.12	0.63	0.97
4^,7-dihydroxyflavanone-3	1.06	0.88	0.93
4-aminobenzoic acid	0.76	0.27	0.62
4-androsten-11-beta-ol-3,17-dione-1	-	1.15	1.31
4-androsten-11-beta-ol-3,17-dione-2	0.89	1.13	0.60
4-androsten-11-beta-ol-3,17-dione-3	0.97	1.31	0.90
4-androsten-11-beta-ol-3,17-dione-4	1.13	1.10	0.92
4-androsten-11-beta-ol-3,17-dione-5	1.14	1.01	0.92
4-androsten-11-beta-ol-3,17-dione-6	0.92	1.01	0.66
4-androsten-11-beta-ol-3,17-dione-7	1.36	1.03	0.90
4-androsten-19-ol-3,17-dione-1	1.04	1.09	0.92
4-androsten-19-ol-3,17-dione-2	1.09	1.10	0.97
4-androsten-19-ol-3,17-dione-3	1.13	1.14	1.00
4-androsten-19-ol-3,17-dione-4	1.23	0.75	1.09
4-cholesten-3-one-1	1.06	0.98	0.95
4-cholesten-3-one-2	1.10	1.02	0.91
4-hydroxy-3-methoxy cinnamaldehyde	1.05	0.93	0.95
4-hydroxybenzyl cyanide	1.06	0.91	0.94
4-hydroxymandelic acid	1.05	1.04	1.08
4-hydroxyphenylacetic acid	0.94	1.03	1.04
4-hydroxyphenylpyruvic acid	1.01	1.06	0.92
4-hydroxypyridine	0.93	1.01	0.89
4-vinylphenol-1	1.06	0.96	0.88
4-vinylphenol-2	1.09	1.02	1.00
4-vinylphenol-3	1.07	1.00	1.00
5,6-dihydrouracil	1.07	1.03	1.00
5,7-dihydroxy-4^-methoxyisoflavone	0.67	-	0.75
5-aminovaleric acid lactame-1	1.19	0.93	0.98
5-aminovaleric acid lactame-2	1.05	0.94	0.88
5-beta-androstan-3,17-dione	1.20	0.57	0.88
5-beta-pregnan-17, 21-diol-3,11,20-dione-1	1.11	1.00	0.98
5-beta-pregnan-17, 21-diol-3,11,20-dione-2	1.06	1.05	0.94
5-beta-pregnan-17, 21-diol-3,11,20-dione-3	1.06	1.06	0.95
5-beta-pregnan-17, 21-diol-3,11,20-dione-4	1.06	1.07	0.99
5-beta-pregnan-17, 21-diol-3,11,20-dione-5	1.06	0.97	1.02
5-beta-pregnan-17, 21-diol-3,11,20-dione-6	1.02	1.05	0.97
5-beta-pregnan-17, 21-diol-3,11,20-dione-7	1.04	1.08	1.04
5-beta-pregnan-17, 21-diol-3,11,20-dione-8	1.08	1.03	0.96
5-beta-pregnan-17, 21-diol-3,11,20-dione-9	0.91	1.03	0.62
5-hydroxytryptophan-1	0.98	1.09	0.99
5-hydroxytryptophan-2	0.82	1.19	0.92
5-methoxytryptamine-1	1.00	1.13	0.96
5-methoxytryptamine-2	0.87	1.15	0.88
6-aminopenicillanic acid	1.19	0.86	1.16
9-fluorenone	0.83	0.94	1.03
acetanilide	1.04	0.95	0.88
acetophenone	1.14	1.03	1.35
aconitic acid-1	0.56	0.25	0.33
aconitic acid-2	1.27	0.78	0.88
adipamide-1	1.77	0.69	0.87
adipamide-2	1.19	0.92	0.90
adipamide-3	1.35	0.92	0.68
adipamide-4	1.11	0.89	0.96
adipamide-5	1.10	1.08	0.84
adrenosterone	0.85	1.56	0.91
alanine-1	1.09	1.24	0.94
alanine-2	1.01	1.05	0.98
alanine-3	1.16	0.91	0.96
allo-inositol-1	1.15	0.98	0.92
allo-inositol-2	1.12	0.91	1.01
allothreonine	1.20	0.72	1.09
allylmalonic acid-1	1.07	0.85	0.93
allylmalonic acid-2	0.95	0.83	0.84
allylmalonic acid-3	1.09	0.84	1.01
alpha-glucosamine 1-phosphate	1.06	0.91	0.98
alpha-ketoglutarate-1	1.05	0.94	1.02
alpha-ketoglutarate-2	0.99	0.72	0.88
altrose	0.31	1.05	0.66
aminooxyacetic acid	1.03	1.15	0.94
anabasine	1.04	1.04	1.05
arachidiic acid	0.94	1.17	0.88
arbutin-1	0.95	0.85	0.81
arbutin-2	0.99	1.10	0.97
ascorbate-1	1.07	0.97	0.91
ascorbate-2	1.06	0.97	0.92
asparagine	1.05	0.97	0.93
behenic acid	1.16	1.02	1.71
benyzlamine	0.96	1.18	0.86
benzoic acid	1.06	0.91	0.93
benzyl alcohol	1.04	1.04	0.89
benzylthiocyanate	0.98	1.26	0.93
beta-alanine	1.11	0.98	0.96
beta-gentiobiose-1	0.54	14.76	1.31
beta-gentiobiose-2	1.07	0.91	1.00
beta-glycerolphosphate	1.32	0.85	0.93
beta-hydroxybutyric acid-1	1.06	0.84	0.99
beta-hydroxybutyric acid-2	0.74	0.64	0.91
beta-hydroxybutyric acid-3	1.19	0.94	1.00
beta-hydroxymyristic acid	1.12	1.00	0.98
beta-mannosylglycerate-1	0.41	0.16	0.42
beta-mannosylglycerate-2	0.72	0.15	0.58
beta-mannosylglycerate-3	1.12	1.03	0.99
beta-mannosylglycerate-4	1.07	0.93	0.92
beta-mannosylglycerate-5	1.03	1.06	0.96
bis-(2-hydroxypropyl)amine-1	1.14	0.99	0.99
bis-(2-hydroxypropyl)amine-2	1.08	0.92	1.06
capric acid	0.75	1.57	0.92
caprylic acid-1	1.07	1.02	1.00
caprylic acid-2	0.70	-	0.85
caprylic acid-3	1.07	1.01	0.97
carbazole	1.17	0.77	1.01
catechin	1.00	1.07	0.95
chlorogenic acid-1	0.94	1.09	0.25
chlorogenic acid-2	0.87	0.49	0.70
cholic acid-1	1.10	1.04	1.01
cholic acid-2	1.04	0.08	0.98
cholic acid-3	1.08	0.99	0.94
cholic acid-4	1.28	1.01	0.95
cis-3,5-dimethoxy-4-hydroxycinnamaldehyde	1.19	2.31	0.82
cis-gondoic acid-1	0.85	0.89	0.79
cis-gondoic acid-2	1.10	1.04	1.02
citraconic acid-1	1.04	0.43	0.44
citraconic acid-2	1.06	0.97	0.96
citraconic acid-3	1.22	0.97	0.97
citraconic acid-4	0.88	1.07	0.63
conduritol B epoxide	1.08	0.99	1.09
coprostan-3-one	1.00	1.14	0.87
cortexolone-1	1.18	1.01	0.95
cortexolone-10	1.13	1.06	0.97
cortexolone-11	1.10	1.22	0.93
cortexolone-12	1.00	1.23	0.89
cortexolone-2	1.08	1.02	0.96
cortexolone-3	1.11	1.02	0.92
cortexolone-4	1.22	1.04	0.94
cortexolone-5	1.01	1.00	0.94
cortexolone-6	1.10	1.05	0.96
cortexolone-7	1.01	1.00	0.79
cortexolone-8	0.95	-	0.86
cortexolone-9	1.15	1.03	0.99
creatine-1	1.12	1.06	1.00
creatine-2	1.16	0.86	0.95
creatine-3	1.01	1.01	0.98
creatine-4	1.32	0.89	0.93
cyclic AMP-1	0.98	1.05	0.94
cyclic AMP-2	1.01	1.06	0.95
cyclic AMP-3	0.83	1.20	0.90
cyclic AMP-4	1.06	1.05	0.96
cyclic AMP-5	1.05	1.10	0.97
cyclic AMP-6	1.06	1.07	0.95
cyclic AMP-7	0.94	1.47	0.89
cysteine-glycine	1.18	0.94	1.05
dehydroascorbic acid	0.74	0.23	0.59
D-erythro-sphingosine-1	1.10	0.85	1.12
D-erythro-sphingosine-2	0.97	1.13	0.93
diglycerol-1	1.13	0.97	0.89
diglycerol-2	1.38	0.90	1.07
diglycerol-3	0.56	0.25	0.45
dihydrocarveol	1.04	1.10	0.95
dihydrolanosterol-1	0.95	0.93	0.86
dihydrolanosterol-2	1.04	1.00	0.90
dioctylphtalate-1	0.91	0.00	1.02
dioctylphtalate-2	1.13	1.01	0.98
elaidic acid-1	1.13	1.04	1.03
elaidic acid-2	1.13	1.02	1.02
elaidic acid-3	1.26	1.14	0.99
epigallocatechin-1	1.05	1.07	0.92
epigallocatechin-2	2.97	0.86	-
erythrose-4-phosphate	1.05	0.97	0.92
ethyl trans-cinnamic acid	1.00	1.02	0.95
farnesal	0.96	1.05	0.93
flavonone	0.98	1.24	0.94
fructose	0.86	1.02	0.43
fructose-2,6-bisphosphate	1.03	0.68	1.13
fucose-1	1.07	1.05	0.99
fucose-2	1.75	0.70	1.61
fumaric acid	1.13	0.97	0.99
galactonic acid-1	1.08	0.90	0.96
galactonic acid-2	1.13	0.99	0.98
galactonic acid-3	1.05	0.92	0.97
galacturonic acid-1	1.00	0.93	1.00
galacturonic acid-2	1.09	0.94	0.98
glucoheptonic acid-1	1.05	1.03	1.00
glucoheptonic acid-2	1.07	1.01	0.98
glucoheptonic acid-3	0.83	1.18	0.94
glucoheptonic acid-4	1.15	0.94	0.96
glucoheptose-1	0.88	1.11	0.83
glucoheptose-2	0.95	0.98	0.80
gluconic acid-1	1.08	0.99	1.07
gluconic acid-2	0.88	1.10	0.97
gluconic acid-3	1.10	0.98	1.08
gluconic acid-4	1.08	0.98	1.08
gluconic acid lactone-1	1.05	0.97	0.97
gluconic acid lactone-2	0.98	1.06	0.99
gluconic acid lactone-3	1.14	0.99	1.12
gluconic acid lactone-4	1.20	1.42	1.01
glucose-6-phosphate-1	1.18	0.98	1.05
glucose-6-phosphate-2	0.84	0.98	0.86
glucuronic acid	1.15	1.00	1.08
glutamic acid-1	0.98	1.04	1.00
glutamic acid-2	1.22	0.82	0.97
glutamine-1	1.07	1.04	-
glutamine-2	1.12	0.97	0.96
glutaric acid-1	1.11	0.96	0.94
glutaric acid-2	0.89	0.99	1.04
glutathione-1	1.18	0.77	1.00
glutathione-2	1.15	0.58	1.01
glycine-1	1.09	1.00	1.01
glycine-2	1.27	0.72	0.95
glycocyamine-1	1.15	1.02	0.94
glycocyamine-2	0.96	0.63	0.79
glycocyamine-3	0.94	0.40	0.71
glycocyamine-4	0.82	0.16	0.61
glycocyamine-5	0.68	0.10	0.68
glycolic acid-1	0.50	-	0.24
glycolic acid-2	1.16	0.93	1.02
guanidinosuccinate	1.15	0.83	1.01
guanine	1.15	1.04	0.96
halostachine	1.01	1.04	0.93
heptadecanoic acid-1	1.07	1.04	0.98
heptadecanoic acid-2	1.08	1.05	0.99
hesperitin-1	1.14	1.04	0.95
hesperitin-2	1.06	1.04	0.98
hesperitin-3	1.24	1.11	0.98
hesperitin-4	1.04	1.01	0.97
hesperitin-5	1.10	1.00	0.95
hesperitin-6	0.96	1.29	1.11
hesperitin-7	0.85	0.83	0.78
hexadecanoic acid methyl ester	1.03	0.97	0.98
hippuric acid-1	1.10	1.05	0.97
hippuric acid-2	1.55	1.10	0.83
homogentistic acid	0.96	0.76	0.77
hydroxylamine	1.09	1.05	0.92
hypoxanthine-1	1.19	0.89	1.05
hypoxanthine-2	1.87	0.26	0.20
iminodiacetic acid-1	1.09	1.03	0.96
iminodiacetic acid-2	0.96	0.81	0.76
iminodiacetic acid-3	1.16	0.94	0.95
indol-3-acetic acid	1.18	1.00	0.93
indole-3-acetamide-1	1.01	0.95	0.90
indole-3-acetamide-2	0.93	1.13	1.20
indole-3-lactate	1.15	0.94	1.06
inosine 5^-monophosphate	1.04	0.92	1.00
isoleucine	1.03	1.09	0.95
isopropyl beta-D-thiogalactopyranoside-1	1.05	0.96	0.97
isopropyl beta-D-thiogalactopyranoside-2	1.15	1.02	1.05
isopropyl beta-D-thiogalactopyranoside-3	0.88	1.08	0.85
kyotorphin-1	1.17	0.62	1.00
kyotorphin-2	1.08	1.08	0.96
kyotorphin-3	0.98	1.93	0.98
lactamide	1.10	0.96	0.99
lactic acid-1	1.02	1.06	1.02
lactic acid-2	1.13	0.95	1.00
lactobionic acid-1	1.05	0.52	-
lactobionic acid-2	1.13	1.01	1.16
lactose-1	0.95	1.15	0.55
lactose-2	-	-	0.37
lauric acid-1	0.98	1.03	1.03
lauric acid-2	1.07	0.93	0.95
L-gulonic acid gamma-lactone	1.23	0.25	1.03
L-homoserine-1	1.11	0.99	1.03
L-homoserine-2	1.12	0.97	0.96
linolenic acid	1.13	1.07	1.01
loganin	0.97	1.10	1.03
lysine	1.11	1.00	0.92
lyxono-1,4-lactone	1.15	0.93	0.98
lyxose-1	1.16	0.86	0.95
lyxose-2	1.13	0.97	1.04
lyxose-3	1.12	0.90	0.96
maleamic acid	1.07	0.99	0.99
malic acid-1	1.17	0.88	0.98
malic acid-2	1.05	1.20	0.91
malic acid-3	1.16	0.88	0.98
malic acid-4	1.15	0.94	1.01
malonamide	0.87	1.35	1.13
malonic acid-1	1.11	0.94	0.94
malonic acid-2	1.12	0.95	0.92
maltotriitol-1	1.18	0.99	0.93
maltotriitol-2	1.14	0.96	0.98
maltotriose-1	-	1.44	0.63
maltotriose-2	1.44	0.86	0.97
maltotriose-3	1.33	0.96	1.00
mannitol-1	1.05	1.01	1.03
mannitol-2	1.04	1.00	1.09
mannitol-3	1.06	0.93	1.02
mannitol-4	1.07	1.03	1.08
mannitol-5	1.09	0.97	0.98
mannose	1.01	1.00	0.87
melatonin-1	1.05	0.99	0.89
melatonin-2	1.07	1.10	0.98
melezitose	1.03	1.07	0.91
menthone	1.16	0.83	0.95
methanolphosphate	1.04	0.98	0.96
methionine	1.04	0.96	0.92
methionine sulfoxide	1.12	0.99	0.98
methylmalonic acid-1	1.04	1.01	1.01
methylmalonic acid-2	0.94	0.69	0.80
methylmalonic acid-3	1.05	0.97	0.97
methylmalonic acid-4	1.31	0.79	0.88
methyl O-D-galactopyranoside-1	1.09	0.54	0.62
methyl O-D-galactopyranoside-2	0.90	0.65	0.71
methylyellow	1.05	0.99	0.93
monoolein	1.10	0.24	0.92
mucic acid-1	1.03	0.93	1.06
mucic acid-2	1.19	1.15	1.04
myo-inositol	1.07	0.93	0.94
N-(2-fluorenyl)acetamide	0.94	1.18	0.88
N-(2-hydroxyethyl)-iminodiacetic acid	1.35	0.67	1.14
N-acetyl-5-hydroxytryptamine	1.14	1.03	0.96
N-acetyl-D-mannosamine	1.12	0.85	1.09
N-acetylisatin	1.29	0.96	1.03
N-acetyl-phenylalanine	1.09	1.04	1.00
N-acetyl-tryptophan-1	1.11	1.02	0.96
N-acetyl-tryptophan-2	1.08	1.03	0.99
naringenin-1	1.11	0.99	0.94
naringenin-2	1.00	0.96	0.95
naringenin-3	1.08	0.98	0.98
naringenin-4	1.11	0.97	0.96
N-carbamylglutamate-1	0.34	0.20	0.46
N-carbamylglutamate-2	0.72	0.16	0.58
N-carbobenzyloxyl-leucine-1	1.16	0.90	0.99
N-carbobenzyloxyl-leucine-10	1.06	0.97	1.00
N-carbobenzyloxyl-leucine-11	1.22	0.69	1.11
N-carbobenzyloxyl-leucine-2	1.17	1.03	0.98
N-carbobenzyloxyl-leucine-3	1.27	0.90	1.02
N-carbobenzyloxyl-leucine-4	1.29	1.10	0.83
N-carbobenzyloxyl-leucine-5	1.15	1.08	1.07
N-carbobenzyloxyl-leucine-6	1.13	1.06	1.17
N-carbobenzyloxyl-leucine-7	1.06	1.05	1.06
N-carbobenzyloxyl-leucine-8	1.09	0.90	1.05
N-carbobenzyloxyl-leucine-9	1.08	1.05	1.04
neohesperidin	1.10	1.09	0.95
N-ethylmaleamic acid	1.08	1.05	0.97
N-formyl-methionine	1.08	1.05	0.93
nicotinic acid-1	1.17	1.02	0.89
nicotinic acid-2	1.07	1.02	0.86
nicotinic acid-3	1.19	0.98	0.95
N-methylalanine	1.02	0.98	0.98
N-methylglutamic acid	1.03	1.00	1.02
N,N-dimethylhistidine	0.74	0.23	0.59
nonanoic acid methyl ester	1.10	0.97	0.95
noradrenaline	1.01	1.12	1.01
norleucine	1.14	0.93	0.95
norvaline-1	1.13	0.93	0.95
norvaline-2	1.15	0.94	0.99
norvaline-3	1.04	0.98	0.99
o-cresol	1.03	1.00	0.98
octacosanoic acid methyl ester	1.07	1.03	0.89
octadecanol	1.06	1.03	0.95
octanal-1	1.13	1.04	0.96
octanal-2	1.00	0.97	0.97
o-hydroxyhippuric acid	1.18	0.95	1.04
O-methylthreonine	0.87	1.22	0.63
O-phosphorylethanolamine	1.14	0.88	0.85
O-phosphoserine-1	1.14	1.15	0.96
O-phosphoserine-2	0.87	0.92	1.02
ornithine-1	0.87	1.14	0.77
ornithine-2	1.01	0.97	1.05
ornithine-3	1.05	0.97	1.05
ornithine-4	1.14	1.02	0.94
oxalacetic acid	1.04	0.99	1.09
oxalic acid	1.06	0.97	0.97
oxamide	1.07	1.01	0.97
oxoproline	1.09	0.96	0.98
palatinose	1.00	0.86	1.14
palmitic acid	1.16	1.04	0.97
palmitoleic acid-1	1.18	0.69	1.04
palmitoleic acid-2	1.17	0.98	1.02
palmitoleic acid-3	1.04	0.89	0.99
pantothenic acid	1.04	0.92	0.97
paraoxone	1.12	0.99	0.93
p-cresol	1.02	1.16	-
pelargonic acid	1.01	0.97	0.93
pentadecanoic acid-1	1.28	0.95	1.01
pentadecanoic acid-2	1.07	0.94	0.97
phenaceturic aciid	0.87	0.62	0.84
phenylacetaldehyde	1.04	1.02	0.94
phenylacetaldyde dimer4	0.92	1.02	0.82
phenylacetic acid-1	1.16	1.01	1.07
phenylacetic acid-2	1.10	1.03	0.95
phenylalanine-1	0.98	1.10	0.92
phenylalanine-2	1.05	0.89	0.92
phenyl-beta-glucopyranoside	1.09	0.91	1.13
phloretin	0.78	0.87	0.66
phloroglucinol	1.07	1.07	0.99
phosphogluconic acid	1.10	1.00	1.01
phosphomycin	1.06	0.96	0.86
phthalic acid-1	0.80	1.43	1.00
phthalic acid-2	0.90	0.55	0.89
phthalic acid-3	0.71	0.93	0.58
phytosphingosine	1.21	1.01	0.86
piceatannol-1	1.35	0.78	1.17
piceatannol-2	0.87	-	0.95
piceatannol-3	0.16	1.03	1.01
piceatannol-4	1.17	1.01	0.94
pipecolinic acid	1.09	0.94	0.95
progesterone-1	0.92	1.30	0.86
progesterone-2	1.04	0.92	0.86
proline-1	1.18	0.99	0.96
proline-2	1.15	0.88	0.97
prostaglandin A2-1	1.04	1.20	0.92
prostaglandin A2-2	1.27	0.91	0.97
prostaglandin A2-3	0.76	0.77	0.72
prostaglandin A2-4	0.86	0.77	0.74
prostaglandin E2	1.07	1.12	0.91
purine riboside	1.14	0.96	0.99
pyridoxal-5^-phosphate	1.16	1.07	1.02
pyrogallol	1.34	0.66	1.07
pyrophosphate	1.01	1.06	0.90
pyruvic acid-1	0.95	0.99	0.62
pyruvic acid-2	1.09	1.00	0.98
pyruvic acid-3	1.14	1.01	1.05
pyruvic acid-4	1.09	1.01	1.00
quinic acid-1	0.61	0.03	0.53
quinic acid-2	1.09	1.00	1.02
resveratrol-1	1.05	1.02	0.93
resveratrol-2	1.18	0.77	1.07
ribitol	1.13	0.99	0.95
ribonic acid gamma-lactone	1.16	0.87	0.99
saccharic acid	1.08	0.98	1.08
saccharin	1.04	1.05	0.97
salicylic acid	0.67	0.93	0.79
sarcosine-1	1.14	0.96	0.99
sarcosine-2	1.13	0.97	0.99
sarcosine-3	1.66	1.10	0.89
sarcosine-4	0.95	0.86	0.84
serine-1	0.94	1.04	1.03
serine-2	1.13	0.93	0.93
sinapyl alcohol	1.16	0.81	1.00
sorbitol	1.11	1.03	0.99
spermidine-1	0.83	1.04	1.02
spermidine-2	1.11	0.82	0.95
spermidine-3	1.09	1.04	1.11
stearic acid-1	1.12	1.06	1.01
stearic acid-2	1.04	0.98	0.97
stearic acid-3	1.17	1.08	1.02
stigmasterol	1.02	0.04	1.03
succinate semialdehyde	1.05	1.02	0.93
succinic acid-1	1.14	0.91	0.97
succinic acid-2	0.94	1.87	0.62
sucrose-6-phosphate	1.21	1.01	1.05
sulfuric acid	1.04	0.97	0.98
tagatose	1.11	0.80	0.88
tartronic acid	1.11	0.98	0.99
threo-3-isopropylmalate	1.21	0.88	0.94
threo-beta hydroxyaspartate	0.72	0.80	1.01
threonic acid-1	0.89	1.10	1.01
threonic acid-2	1.17	0.92	1.01
threose-1	1.14	0.91	1.02
threose-2	0.55	0.89	1.67
thymidine	1.03	1.05	0.95
trans-3,5-dimethoxy-4-hydroxycinnamaldehyde	1.10	0.87	1.08
trans-3-hexenedioic acid-1	7.00	1.06	0.77
trans-3-hexenedioic acid-2	1.16	0.91	0.98
trans-3-hexenedioic acid-3	1.15	0.91	0.99
trans-3-hexenedioic acid-4	1.18	0.90	0.99
tryptophan-1	1.09	1.02	0.95
tryptophan-2	1.08	1.10	1.00
tryptophan-3	0.11	1.89	-
tyrosine-1	1.07	0.96	0.99
tyrosine-2	1.09	0.96	0.98
urea-1	1.11	0.94	0.98
urea-2	1.03	0.95	1.00
urea-3	1.11	0.94	0.99
urea-4	1.10	1.20	1.05
uridine	1.44	1.73	2.02
valine	1.42	1.14	0.92
xanthine	1.67	0.87	1.08
xanthosine	0.98	0.26	1.07

Factors:

F1	Pheotypes:Benign SPNS
F2	Pheotypes:Healthy Controls
F3	Pheotypes:Maligant SPNS