Data for (Study ST002017)

(Analysis AN003287)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2
10-heptadecenoate (17:1n7)	1.1389	0.8029
10-nonadecenoate (19:1n9)	1.0677	0.9039
10-undecenoate (11:1n1)	1.0010	0.9986
1-(1-enyl-oleoyl)-2-linoleoyl-GPE (P-18:1/18:2)*	1.0064	0.9910
1-(1-enyl-oleoyl)-GPE (P-18:1)*	1.0212	0.9699
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	0.9683	1.0450
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	0.9532	1.0664
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	1.0447	0.9366
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	0.9445	1.0788
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	1.0909	0.8710
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	0.9666	1.0475
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	1.0746	0.8941
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	1.0550	0.9219
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	0.9309	1.0981
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	0.9902	1.0140
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	0.9647	1.0501
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	0.9877	1.0175
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	0.9740	1.0369
1-(1-enyl-stearoyl)-GPE (P-18:0)*	0.9916	1.0119
11-ketoetiocholanolone glucuronide	0.9217	1.1111
12,13-DiHOME	1.2057	0.7080
1,2,3-benzenetriol sulfate (1)	1.1362	0.8067
1,2,3-benzenetriol sulfate (2)	0.8812	1.1687
1,2-dilinoleoyl-GPC (18:2/18:2)	0.9738	1.0372
1,2-dilinoleoyl-GPE (18:2/18:2)*	1.0316	0.9551
1,2-dipalmitoyl-GPC (16:0/16:0)	1.0285	0.9595
1,2-dipalmitoyl-GPE (16:0/16:0)*	1.0885	0.8744
12-HETE	1.1014	0.8561
1,3,7-trimethylurate	0.6469	1.5012
1,3-dimethylurate	0.9224	1.1102
13-HODE + 9-HODE	0.8050	1.2768
13-methylmyristate	1.1532	0.7826
14-HDoHE/17-HDoHE	1.2348	0.6668
1,5-anhydroglucitol (1,5-AG)	0.9488	1.0726
15-methylpalmitate	1.0817	0.8841
16a-hydroxy DHEA 3-sulfate	1.0643	0.9087
16-hydroxypalmitate	1.1331	0.8111
17alpha-hydroxypregnanolone glucuronide	0.8378	1.2302
17alpha-hydroxypregnenolone 3-sulfate	0.7855	1.3045
1,7-dimethylurate	0.7646	1.3342
17-methylstearate	1.0418	0.9407
1-arachidonoyl-GPC (20:4n6)*	0.9367	1.0898
1-arachidonoyl-GPE (20:4n6)*	0.9464	1.0761
1-arachidonoyl-GPI (20:4)*	1.0249	0.9646
1-arachidonylglycerol (20:4)	1.0031	0.9955
1-lignoceroyl-GPC (24:0)	1.0386	0.9452
1-linolenoyl-GPC (18:3)*	0.9048	1.1351
1-linolenoyl-GPE (18:3)*	0.9194	1.1144
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	0.9670	1.0468
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	1.0484	0.9313
1-linoleoylglycerol (18:2)	0.8953	1.1486
1-linoleoyl-GPA (18:2)*	1.1335	0.8105
1-linoleoyl-GPC (18:2)	0.9393	1.0862
1-linoleoyl-GPE (18:2)*	0.9207	1.1125
1-linoleoyl-GPG (18:2)*	0.9799	1.0286
1-linoleoyl-GPI (18:2)*	1.0943	0.8662
1-methylhistidine	0.9072	1.1317
1-methylimidazoleacetate	0.9338	1.0940
1-methylnicotinamide	1.0496	0.9297
1-methylurate	0.7135	1.4066
1-methylxanthine	0.7798	1.3125
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	0.9711	1.0410
1-oleoylglycerol (18:1)	0.9567	1.0615
1-oleoyl-GPC (18:1)	0.9377	1.0885
1-oleoyl-GPE (18:1)	0.9093	1.1288
1-oleoyl-GPG (18:1)*	1.0020	0.9971
1-oleoyl-GPI (18:1)*	1.0385	0.9453
1-palmitoleoylglycerol (16:1)*	1.0067	0.9905
1-palmitoleoyl-GPC (16:1)*	0.9242	1.1076
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	1.0086	0.9878
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	1.1251	0.8224
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	1.0087	0.9877
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*	0.9161	1.1191
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1.0127	0.9820
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	1.1586	0.7748
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	1.1062	0.8493
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	1.0242	0.9656
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	1.1212	0.8280
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	1.1061	0.8494
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	1.0733	0.8959
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	0.9713	1.0407
1-palmitoylglycerol (16:0)	1.0420	0.9403
1-palmitoyl-GPC (16:0)	0.9524	1.0676
1-palmitoyl-GPE (16:0)	1.0128	0.9818
1-palmitoyl-GPG (16:0)*	0.9442	1.0792
1-palmitoyl-GPI (16:0)	1.2171	0.6919
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	0.9818	1.0259
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	1.0506	0.9281
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	0.9873	1.0180
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	0.9972	1.0040
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	0.9864	1.0193
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	1.0373	0.9471
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	1.0693	0.9017
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	0.9745	1.0362
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	0.9986	1.0020
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*	1.0725	0.8972
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	1.0502	0.9287
1-stearoyl-GPC (18:0)	0.9253	1.1060
1-stearoyl-GPE (18:0)	0.9772	1.0324
1-stearoyl-GPI (18:0)	1.1048	0.8512
1-stearoyl-GPS (18:0)*	1.1414	0.7992
21-hydroxypregnenolone disulfate	0.8832	1.1658
21-hydroxypregnenolone monosulfate (1)	0.7635	1.3357
2,3-dihydroxyisovalerate	1.0120	0.9829
2-acetamidophenol sulfate	0.9449	1.0782
2-aminobutyrate	0.9756	1.0347
2-aminoheptanoate	0.6225	1.5359
2-aminooctanoate	0.8377	1.2304
2-aminophenol sulfate	0.9442	1.0792
2-arachidonoylglycerol (20:4)	1.0203	0.9712
2^-deoxyuridine	0.9239	1.1080
2-hydroxy-3-methylvalerate	0.8436	1.2220
2-hydroxyacetaminophen sulfate*	0.8670	1.1888
2-hydroxybutyrate/2-hydroxyisobutyrate	0.9703	1.0422
2-hydroxydecanoate	0.7278	1.3864
2-hydroxyglutarate	1.0686	0.9026
2-hydroxyhippurate (salicylurate)	0.7953	1.2905
2-hydroxyibuprofen	1.0000	1.0000
2-hydroxylaurate	0.8842	1.1643
2-hydroxyoctanoate	0.9600	1.0568
2-hydroxypalmitate	1.0120	0.9830
2-hydroxyphenylacetate	0.8130	1.2654
2-hydroxystearate	0.9868	1.0187
2-keto-3-deoxy-gluconate	1.1192	0.8309
2-linoleoylglycerol (18:2)	1.1839	0.7390
2-methoxyacetaminophen glucuronide*	1.0290	0.9589
2-methoxyacetaminophen sulfate*	1.0083	0.9882
2-methylbutyrylcarnitine (C5)	0.7466	1.3597
2-methylbutyrylglycine	0.9484	1.0733
2-methylcitrate/homocitrate	0.7678	1.3296
2-methylmalonylcarnitine (C4-DC)	0.8593	1.1997
2-oleoylglycerol (18:1)	0.9310	1.0980
2^-O-methylcytidine	0.9920	1.0114
2-oxindole-3-acetate	1.1933	0.7256
2-oxoarginine*	0.7583	1.3431
2-palmitoleoyl-GPC (16:1)*	0.9607	1.0558
2-palmitoyl-GPC (16:0)*	0.9182	1.1161
2-piperidinone	0.7913	1.2962
2-stearoyl-GPE (18:0)*	0.9608	1.0556
3-(3-hydroxyphenyl)propionate	0.7492	1.3559
3-(3-hydroxyphenyl)propionate sulfate	0.7527	1.3509
3-(4-hydroxyphenyl)lactate	0.8521	1.2099
3,4-methyleneheptanoate	1.1198	0.8300
3,4-methyleneheptanoylcarnitine	0.8599	1.1988
3,7-dimethylurate	0.7873	1.3019
3-acetylphenol sulfate	0.6567	1.4873
3-aminoisobutyrate	0.9707	1.0416
3beta,7alpha-dihydroxy-5-cholestenoate	1.0238	0.9662
3beta-hydroxy-5-cholestenoate	0.9119	1.1251
3b-hydroxy-5-cholenoic acid	1.0168	0.9762
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	0.8694	1.1853
3-(cystein-S-yl)acetaminophen*	1.0000	1.0000
3-hydroxy-2-ethylpropionate	0.9301	1.0992
3-hydroxy-3-methylglutarate	1.0508	0.9279
3-hydroxybutyrate (BHBA)	1.3107	0.5590
3-hydroxybutyrylcarnitine (1)	1.1190	0.8311
3-hydroxybutyrylcarnitine (2)	1.1532	0.7826
3-hydroxycotinine glucuronide	1.0000	1.0000
3-hydroxydecanoate	1.0677	0.9039
3-hydroxyhexanoate	1.1089	0.8455
3-hydroxyhippurate	0.7015	1.4236
3-hydroxyisobutyrate	0.8354	1.2337
3-hydroxylaurate	1.0966	0.8629
3-hydroxyoctanoate	1.0452	0.9358
3-hydroxyproline	1.0285	0.9596
3-hydroxypyridine sulfate	0.6228	1.5353
3-hydroxysebacate	1.1296	0.8160
3-hydroxystearate	0.9990	1.0014
3-indoxyl sulfate	0.9030	1.1377
3-methoxycatechol sulfate (1)	0.9774	1.0321
3-methoxycatechol sulfate (2)	0.8984	1.1442
3-methoxytyramine sulfate	1.0319	0.9548
3-methoxytyrosine	1.0428	0.9393
3-methyl-2-oxobutyrate	0.9131	1.1233
3-methyl-2-oxovalerate	0.8729	1.1804
3-methyl catechol sulfate (1)	0.6875	1.4436
3-methylcytidine	0.9169	1.1179
3-methylglutaconate	1.0337	0.9522
3-methylglutarate/2-methylglutarate	1.1963	0.7213
3-methylglutarylcarnitine (2)	1.1704	0.7581
3-methylhistidine	0.8414	1.2251
3-methylurate*	1.2559	0.6368
3-methylxanthine	0.7041	1.4200
3-(N-acetyl-L-cystein-S-yl) acetaminophen	1.0000	1.0000
3-phenylpropionate (hydrocinnamate)	1.1319	0.8128
3-phosphoglycerate	1.0965	0.8630
3-ureidopropionate	0.9396	1.0858
4-acetamidobutanoate	1.0858	0.8782
4-acetamidophenol	1.0639	0.9093
4-acetamidophenylglucuronide	1.1778	0.7476
4-acetaminophen sulfate	1.2015	0.7140
4-acetylphenol sulfate	0.6501	1.4966
4-allylphenol sulfate	1.1067	0.8486
4-cholesten-3-one	0.9615	1.0546
4-ethylphenylsulfate	0.6047	1.5610
4-guanidinobutanoate	0.7655	1.3328
4-hydroxy-2-oxoglutaric acid	1.0563	0.9201
4-hydroxychlorothalonil	1.0711	0.8991
4-hydroxycoumarin	0.9953	1.0067
4-hydroxyglutamate	0.8108	1.2685
4-hydroxyhippurate	0.8526	1.2093
4-hydroxyphenylacetylglutamine	0.8486	1.2149
4-hydroxyphenylpyruvate	0.9067	1.1324
4-imidazoleacetate	0.9946	1.0077
4-methyl-2-oxopentanoate	0.8675	1.1881
4-methylcatechol sulfate	0.9391	1.0864
4-vinylguaiacol sulfate	1.1022	0.8550
4-vinylphenol sulfate	0.6832	1.4496
5,6-dihydrothymine	0.9575	1.0604
5-acetylamino-6-amino-3-methyluracil	0.8540	1.2072
5-acetylamino-6-formylamino-3-methyluracil	0.9558	1.0627
5alpha-androstan-3alpha,17alpha-diol monosulfate	0.7140	1.4059
5alpha-androstan-3alpha, 17beta-diol 17-glucosiduronate	0.4479	1.7836
5alpha-androstan-3alpha,17beta-diol disulfate	0.4569	1.7709
5alpha-androstan-3alpha,17beta-diol monosulfate (1)	0.7695	1.3271
5alpha-androstan-3alpha,17beta-diol monosulfate (2)	0.1659	2.1839
5alpha-androstan-3beta,17alpha-diol disulfate	0.7646	1.3341
5alpha-androstan-3beta,17beta-diol disulfate	0.7547	1.3482
5alpha-androstan-3beta,17beta-diol monosulfate (2)	0.7552	1.3474
5alpha-pregnan-3(alpha or beta),20beta-diol disulfate	1.4606	0.3462
5alpha-pregnan-3beta,20alpha-diol disulfate	1.4143	0.4120
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)	1.4648	0.3403
5alpha-pregnan-3beta,20beta-diol monosulfate (1)	1.4182	0.4064
5-bromotryptophan	0.9321	1.0963
5-dodecenoate (12:1n7)	1.2367	0.6640
5-(galactosylhydroxy)-L-lysine	0.9443	1.0790
5-hydroxyhexanoate	1.1154	0.8363
5-hydroxyindoleacetate	0.9227	1.1097
5-hydroxylysine	0.9550	1.0639
5-methylthioadenosine (MTA)	0.9059	1.1335
5-methyluridine (ribothymidine)	0.9456	1.0772
5-oxoproline	0.9339	1.0939
6-hydroxyindole sulfate	0.9055	1.1341
6-oxopiperidine-2-carboxylate	0.9955	1.0063
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	0.8776	1.1737
7-hydroxyindole sulfate	0.8488	1.2146
7-ketolithocholate	1.0815	0.8843
7-methylguanine	0.9868	1.0187
7-methylurate	0.6915	1.4379
7-methylxanthine	0.6580	1.4855
9,10-DiHOME	0.6152	1.5462
9-hydroxystearate	1.2777	0.6059
acesulfame	0.6976	1.4293
acetoacetate	1.1952	0.7230
acetylcarnitine (C2)	0.9990	1.0014
acisoga	1.0053	0.9924
aconitate [cis or trans]	1.0268	0.9619
adenine	0.9551	1.0637
adenosine	1.0422	0.9401
adenosine 3^,5^-cyclic monophosphate (cAMP)	0.9882	1.0168
adenosine 5^-monophosphate (AMP)	1.1466	0.7919
adipate	1.0247	0.9650
adipoylcarnitine (C6-DC)	0.9603	1.0564
adrenate (22:4n6)	1.0665	0.9056
adrenoylcarnitine (C22:4)*	0.7479	1.3579
alanine	0.9714	1.0406
allantoin	0.9816	1.0261
alliin	0.7576	1.3440
alpha-CEHC	1.0089	0.9874
alpha-CEHC glucuronide*	1.1284	0.8177
alpha-CEHC sulfate	1.0300	0.9574
alpha-hydroxyisocaproate	0.8773	1.1742
alpha-hydroxyisovalerate	0.9164	1.1186
alpha-ketobutyrate	0.9506	1.0702
alpha-ketoglutarate	1.0037	0.9947
alpha-tocopherol	0.9886	1.0161
androstenediol (3alpha, 17alpha) monsulfate (2)	0.7353	1.3757
androstenediol (3alpha, 17alpha) monsulfate (3)	0.7202	1.3972
androstenediol (3beta,17beta) disulfate (1)	0.8229	1.2513
androstenediol (3beta,17beta) disulfate (2)	0.8614	1.1968
androstenediol (3beta,17beta) monosulfate (1)	0.7773	1.3161
androstenediol (3beta,17beta) monosulfate (2)	1.0657	0.9068
andro steroid monosulfate (1)*	1.0127	0.9819
androsterone sulfate	0.8802	1.1701
arabitol/xylitol	0.9407	1.0842
arabonate/xylonate	0.9881	1.0169
arachidate (20:0)	0.9644	1.0505
arachidonate (20:4n6)	1.0590	0.9162
arachidonoylcarnitine (C20:4)	0.7541	1.3491
arachidonoylcholine	1.0531	0.9246
arachidonoyl ethanolamide	0.9807	1.0274
arachidoylcarnitine (C20)*	0.8793	1.1713
argininate*	0.8157	1.2616
arginine	0.9647	1.0501
asparagine	1.0139	0.9802
aspartate	0.9264	1.1044
azelate (nonanedioate)	0.5560	1.6302
behenoylcarnitine (C22)*	0.8140	1.2640
behenoyl dihydrosphingomyelin (d18:0/22:0)*	0.9027	1.1381
behenoyl sphingomyelin (d18:1/22:0)*	0.9748	1.0357
benzoate	0.9871	1.0184
beta-alanine	0.9625	1.0532
beta-citrylglutamate	1.0099	0.9859
beta-hydroxyisovalerate	0.8955	1.1484
betaine	0.9247	1.1069
beta-sitosterol	1.0707	0.8996
betonicine	1.5058	0.2821
bilirubin (E,E)*	0.8557	1.2049
bilirubin (E,Z or Z,E)*	0.8671	1.1886
bilirubin (Z,Z)	0.8752	1.1771
biliverdin	0.8593	1.1997
butyrylcarnitine (C4)	0.8402	1.2268
caffeic acid sulfate	0.2258	2.0988
caffeine	0.7869	1.3024
campesterol	1.0430	0.9389
caprate (10:0)	1.1588	0.7746
caproate (6:0)	1.0555	0.9212
caprylate (8:0)	1.0575	0.9184
carboxyethyl-GABA	0.9490	1.0724
carboxyibuprofen	1.0000	1.0000
carnitine	0.9405	1.0845
catechol sulfate	0.8472	1.2169
ceramide (d16:1/24:1, d18:1/22:1)*	0.9428	1.0812
ceramide (d18:1/14:0, d16:1/16:0)*	0.9952	1.0068
ceramide (d18:1/17:0, d17:1/18:0)*	0.9675	1.0462
cerotoylcarnitine (C26)*	0.8396	1.2277
Cetirizine	1.0000	1.0000
C-glycosyltryptophan	0.9478	1.0741
chenodeoxycholate	0.9477	1.0742
chiro-inositol	1.1328	0.8115
cholate	1.2715	0.6146
cholesterol	1.0035	0.9951
choline	0.9599	1.0569
choline phosphate	0.9898	1.0144
cinnamoylglycine	1.2734	0.6120
cis-4-decenoylcarnitine (C10:1)	0.9444	1.0789
citrate	1.0247	0.9650
citrulline	0.9604	1.0563
corticosterone	1.0776	0.8899
cortisol	1.0737	0.8954
cortisone	1.0064	0.9909
cotinine	1.0722	0.8975
cotinine N-oxide	1.0000	1.0000
creatine	1.0522	0.9259
creatinine	0.9345	1.0930
cys-gly, oxidized	0.9070	1.1320
cystathionine	0.6993	1.4268
cysteine	0.9533	1.0663
cysteine-glutathione disulfide	1.0283	0.9598
cysteine s-sulfate	0.9472	1.0749
cysteinylglycine	0.8095	1.2704
cystine	0.9852	1.0211
cytidine	0.8642	1.1927
cytosine	0.6484	1.4990
daidzein sulfate (1)	0.9868	1.0188
daidzein sulfate (2)	0.8511	1.2113
decanoylcarnitine (C10)	1.0239	0.9661
dehydroisoandrosterone sulfate (DHEA-S)	0.8819	1.1676
delta-tocopherol	1.0359	0.9491
deoxycarnitine	0.8861	1.1617
deoxycholate	0.8987	1.1438
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	0.9858	1.0201
dihomo-linoleate (20:2n6)	1.1203	0.8293
dihomo-linolenate (20:3n3 or n6)	1.0756	0.8927
dihomo-linolenoylcarnitine (20:3n3 or 6)*	0.7982	1.2864
dihomo-linolenoyl-choline	1.0431	0.9388
dihomo-linoleoylcarnitine (C20:2)*	0.8778	1.1735
dihydroferulic acid	0.4274	1.8127
dihydroorotate	0.7877	1.3014
dimethylarginine (SDMA + ADMA)	0.9549	1.0640
dimethylglycine	0.9401	1.0850
dimethyl sulfone	0.9300	1.0993
docosadienoate (22:2n6)	1.0532	0.9246
docosadioate	0.8426	1.2234
docosahexaenoate (DHA; 22:6n3)	1.1505	0.7864
docosahexaenoylcarnitine (C22:6)*	0.9814	1.0264
docosahexaenoylcholine	1.1086	0.8458
docosapentaenoate (n3 DPA; 22:5n3)	1.0429	0.9392
docosapentaenoate (n6 DPA; 22:5n6)	1.1270	0.8197
docosapentaenoylcarnitine (C22:5n3)*	0.6701	1.4683
docosatrienoate (22:3n3)	1.0253	0.9641
docosatrienoate (22:3n6)*	1.0743	0.8945
dodecanedioate	1.0104	0.9852
dopamine 3-O-sulfate	1.0385	0.9454
dopamine 4-sulfate	1.0502	0.9287
DSGEGDFXAEGGGVR*	1.5028	0.2864
ectoine	0.7266	1.3880
EDTA	0.9424	1.0818
eicosanodioate	0.8897	1.1566
eicosapentaenoate (EPA; 20:5n3)	1.0677	0.9039
eicosenoate (20:1)	1.0972	0.8621
eicosenoylcarnitine (C20:1)*	0.8895	1.1568
epiandrosterone sulfate	0.8700	1.1845
ergothioneine	1.1155	0.8360
erucate (22:1n9)	0.9610	1.0553
erucoylcarnitine (C22:1)*	0.8291	1.2426
erythritol	0.9343	1.0933
erythronate*	0.9499	1.0711
escitalopram	1.0000	1.0000
estrone 3-sulfate	1.3498	0.5034
ethyl glucuronide	1.0476	0.9325
ethylmalonate	0.9076	1.1311
etiocholanolone glucuronide	0.8710	1.1832
eugenol sulfate	0.3310	1.9495
ferulic acid 4-sulfate	0.5623	1.6212
flavin adenine dinucleotide (FAD)	1.0071	0.9900
fructose	1.0269	0.9618
fumarate	0.9875	1.0178
gabapentin	1.0000	1.0000
galactitol (dulcitol)	0.8812	1.1686
galactonate	1.0374	0.9469
gamma-carboxyglutamate	0.9771	1.0325
gamma-CEHC	0.9510	1.0695
gamma-CEHC glucuronide*	0.9691	1.0439
gamma-glutamyl-2-aminobutyrate	0.8170	1.2598
gamma-glutamylalanine	0.9413	1.0833
gamma-glutamyl-alpha-lysine	0.8549	1.2060
gamma-glutamyl-epsilon-lysine	0.8870	1.1603
gamma-glutamylglutamate	0.7569	1.3450
gamma-glutamylglutamine	0.9380	1.0880
gamma-glutamylglycine	0.9827	1.0246
gamma-glutamylhistidine	0.8960	1.1476
gamma-glutamylisoleucine*	0.8018	1.2814
gamma-glutamylleucine	0.8027	1.2801
gamma-glutamylmethionine	0.8712	1.1828
gamma-glutamylphenylalanine	0.8477	1.2162
gamma-glutamylthreonine	0.9343	1.0932
gamma-glutamyltryptophan	0.8890	1.1576
gamma-glutamyltyrosine	0.7927	1.2942
gamma-glutamylvaline	0.7690	1.3278
gamma-tocopherol/beta-tocopherol	0.9351	1.0921
gentisate	0.8676	1.1879
gluconate	1.0057	0.9919
glucose	0.9702	1.0424
glucuronate	0.8611	1.1972
glutamate	0.8227	1.2516
glutamate, gamma-methyl ester	0.9790	1.0298
glutamine	0.9672	1.0466
glutarate (pentanedioate)	0.9029	1.1379
glutarylcarnitine (C5-DC)	0.9124	1.1243
glycerate	1.0398	0.9435
glycerol	1.2251	0.6804
glycerol 3-phosphate	0.9421	1.0822
glycerophosphoethanolamine	0.9642	1.0508
glycerophosphoglycerol	1.3318	0.5291
glycerophosphoinositol*	1.1140	0.8381
glycerophosphorylcholine (GPC)	0.9107	1.1268
glycine	1.0360	0.9489
glycochenodeoxycholate	0.9968	1.0046
glycochenodeoxycholate glucuronide (1)	0.8107	1.2687
glycochenodeoxycholate sulfate	0.9803	1.0280
glycocholate	0.9284	1.1017
glycocholenate sulfate*	0.9115	1.1256
glycodeoxycholate	0.9690	1.0441
glycodeoxycholate sulfate	1.0169	0.9761
glycohyocholate	1.1052	0.8507
glycolithocholate	0.8720	1.1816
glycolithocholate sulfate*	0.9937	1.0090
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*	1.0300	0.9574
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*	1.0154	0.9781
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*	1.0234	0.9667
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*	1.0779	0.8895
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	1.0311	0.9559
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	1.0119	0.9831
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	1.0265	0.9624
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	1.0518	0.9265
glycoursodeoxycholate	0.9662	1.0479
guanidinoacetate	0.9720	1.0397
guanosine	1.0887	0.8742
gulonate*	0.9502	1.0707
heme	1.1084	0.8461
hexadecanedioate	1.0707	0.8997
hexanoylcarnitine (C6)	0.9516	1.0686
hexanoylglutamine	1.0792	0.8875
hexanoylglycine	1.0127	0.9819
hippurate	0.9530	1.0667
histidine	0.9926	1.0104
homoarginine	0.9109	1.1264
homocitrulline	1.1503	0.7867
homostachydrine*	0.8270	1.2455
hydantoin-5-propionic acid	0.7909	1.2967
hydroquinone sulfate	0.7426	1.3653
hydroxycotinine	0.7672	1.3304
hyocholate	0.9277	1.1026
hypotaurine	0.9538	1.0656
hypoxanthine	0.9721	1.0396
ibuprofen	1.0000	1.0000
imidazole lactate	1.0041	0.9942
imidazole propionate	0.9789	1.0299
iminodiacetate (IDA)	1.0022	0.9969
indole-3-carboxylic acid	0.9570	1.0610
indoleacetate	0.9220	1.1107
indoleacetylglutamine	0.6087	1.5554
indolelactate	0.8990	1.1433
indolepropionate	1.1174	0.8334
indolin-2-one	0.9577	1.0600
inosine	1.0457	0.9351
inosine 5^-monophosphate (IMP)	1.0658	0.9067
isobutyrylcarnitine (C4)	0.8445	1.2207
isobutyrylglycine	0.8572	1.2027
isoeugenol sulfate	0.5350	1.6600
isoleucine	0.9280	1.1022
isoleucylglycine	0.9075	1.1313
isovalerate	0.9302	1.0991
isovalerylcarnitine (C5)	0.7586	1.3426
isovalerylglycine	0.8864	1.1612
kynurenate	0.8886	1.1582
kynurenine	0.9047	1.1353
lactate	0.9535	1.0661
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	1.0519	0.9263
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	1.0460	0.9347
lanthionine	0.9312	1.0977
laurate (12:0)	1.1732	0.7542
laurylcarnitine (C12)	0.9290	1.1007
leucine	0.9163	1.1188
leucylglycine	1.0545	0.9226
lignoceroylcarnitine (C24)*	0.8746	1.1779
lignoceroyl sphingomyelin (d18:1/24:0)	0.9870	1.0184
linoleamide (18:2n6)	0.9406	1.0843
linoleate (18:2n6)	1.1210	0.8283
linolenate [alpha or gamma; (18:3n3 or 6)]	1.1710	0.7573
linolenoylcarnitine (C18:3)*	0.8612	1.1970
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	0.9467	1.0757
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	0.9084	1.1300
linoleoylcarnitine (C18:2)*	0.8723	1.1813
linoleoylcholine*	1.0594	0.9157
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*	1.0749	0.8936
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*	1.0767	0.8912
linoleoyl ethanolamide	0.9819	1.0257
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*	0.9472	1.0749
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	0.8912	1.1545
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	0.9185	1.1157
L-urobilin	0.9242	1.1076
lysine	0.9353	1.0918
malate	1.0196	0.9722
maleate	0.9672	1.0465
malonylcarnitine	0.9213	1.1117
maltose	1.1617	0.7705
maltotetraose	1.0631	0.9104
maltotriose	1.0561	0.9204
mannitol/sorbitol	0.7757	1.3183
mannose	0.9696	1.0431
margarate (17:0)	1.0472	0.9330
margaroylcarnitine*	0.8695	1.1852
mead acid (20:3n9)	1.0381	0.9459
methionine	0.9273	1.1032
methionine sulfone	0.9839	1.0229
methionine sulfoxide	0.9732	1.0380
methyl-4-hydroxybenzoate sulfate	1.3052	0.5668
methyl glucopyranoside (alpha + beta)	1.3609	0.4878
methyl indole-3-acetate	0.8438	1.2217
methylmalonate (MMA)	0.8262	1.2466
methylsuccinate	0.9682	1.0451
myo-inositol	1.0096	0.9864
myristate (14:0)	1.1823	0.7412
myristoleate (14:1n5)	1.2786	0.6046
myristoleoylcarnitine (C14:1)*	0.9696	1.0431
myristoylcarnitine (C14)	0.9272	1.1033
myristoyl dihydrosphingomyelin (d18:0/14:0)*	1.0260	0.9631
N1-Methyl-2-pyridone-5-carboxamide	0.8563	1.2039
N1-Methyl-4-pyridone-3-carboxamide	0.8297	1.2418
N1-methyladenosine	0.9401	1.0850
N1-methylinosine	0.9171	1.1177
N1,N12-diacetylspermine	1.0954	0.8645
N-(2-furoyl)glycine	0.6182	1.5419
N2-methylguanosine	1.0572	0.9188
N2,N2-dimethylguanosine	0.9568	1.0613
N2,N5-diacetylornithine	0.9352	1.0920
N4-acetylcytidine	0.9790	1.0298
N(4)-acetylspermidine	0.9372	1.0892
N6-acetyllysine	0.9322	1.0962
N6-carbamoylthreonyladenosine	0.9317	1.0969
N6-carboxymethyllysine	0.9430	1.0810
N6-methyladenosine	0.9452	1.0777
N6,N6,N6-trimethyllysine	0.8842	1.1643
N6-succinyladenosine	0.9807	1.0274
N-acetyl-1-methylhistidine*	0.8674	1.1882
N-acetyl-3-methylhistidine*	0.8349	1.2344
N-acetylalanine	0.9825	1.0248
N-acetylalliin	0.7057	1.4177
N-acetylarginine	0.9083	1.1301
N-acetylaspartate (NAA)	1.0426	0.9396
N-acetyl-aspartyl-glutamate (NAAG)	1.0417	0.9408
N-acetyl-beta-alanine	0.9346	1.0928
N-acetyl-cadaverine	0.5154	1.6879
N-acetylcarnosine	0.6852	1.4468
N-acetylcitrulline	0.7730	1.3222
N-acetylglucosamine/N-acetylgalactosamine	1.0053	0.9924
N-acetylglucosaminylasparagine	0.9345	1.0929
N-acetylglutamate	1.0545	0.9226
N-acetylglutamine	0.9495	1.0717
N-acetylglycine	1.0051	0.9928
N-acetylhistidine	1.0302	0.9571
N-acetylisoleucine	0.9216	1.1113
N-acetylkynurenine (2)	0.7157	1.4036
N-acetylleucine	0.8961	1.1475
N-acetylmethionine	1.0186	0.9736
N-acetylneuraminate	1.0547	0.9224
N-acetylphenylalanine	0.8368	1.2317
N-acetylputrescine	1.0435	0.9383
N-acetyl-S-allyl-L-cysteine	0.6428	1.5070
N-acetylserine	0.9876	1.0177
N-acetyltaurine	0.9653	1.0492
N-acetylthreonine	0.9462	1.0764
N-acetyltryptophan	0.8262	1.2467
N-acetyltyrosine	0.8172	1.2594
N-acetylvaline	0.9580	1.0596
N-alpha-acetylornithine	0.9142	1.1217
naproxen	1.0000	1.0000
N-behenoyl-hexadecanoylsphingosine (d16:1/22:0)*	0.9352	1.0920
N-behenoyl-sphingadienine (d18:2/22:0)*	0.9433	1.0804
N-delta-acetylornithine	0.7699	1.3265
nervonoylcarnitine (C24:1)*	0.8934	1.1514
N-formylmethionine	0.9803	1.0279
N-formylphenylalanine	0.9674	1.0463
nicotinamide	1.0369	0.9476
N-linoleoylglycine	0.9332	1.0948
N-methylpipecolate	0.7544	1.3486
N-methylproline	1.0763	0.8917
N-methyltaurine	0.8519	1.2101
N-monomethylarginine	0.9478	1.0741
N-nervonoyl-sphingadiene (d18:2/24:1)*	0.9836	1.0233
N-oleoyltaurine	1.0269	0.9619
nonadecanoate (19:0)	0.9996	1.0005
N-palmitoylglycine	1.0169	0.9760
N-palmitoyl-sphinganine (d18:0/16:0)	0.9946	1.0077
N-palmitoyl-sphingosine (d18:1/16:0)	1.0021	0.9970
N-stearoyl-sphingosine (d18:1/18:0)*	0.9935	1.0092
N-stearoyltaurine	0.9066	1.1325
O-acetylhomoserine	1.1684	0.7610
o-cresol sulfate	0.7718	1.3238
octadecanedioate	0.9643	1.0507
octanoylcarnitine (C8)	1.0092	0.9869
oleamide	0.9249	1.1066
oleate/vaccenate (18:1)	1.0954	0.8646
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*	0.9269	1.1037
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	0.9186	1.1156
oleoylcarnitine (C18:1)	0.9206	1.1127
oleoylcholine	1.0548	0.9223
oleoyl ethanolamide	0.9901	1.0141
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*	0.8716	1.1823
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	0.9026	1.1383
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	0.9042	1.1360
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*	0.8644	1.1925
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	0.8642	1.1927
O-methylcatechol sulfate	0.7720	1.3236
ornithine	0.9027	1.1382
orotate	0.9825	1.0249
orotidine	0.8868	1.1606
O-sulfo-L-tyrosine	0.9137	1.1225
oxalate (ethanedioate)	1.0633	0.9102
palmitate (16:0)	1.0931	0.8678
palmitic amide	0.9256	1.1055
palmitoleate (16:1n7)	1.2611	0.6294
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]*	0.9260	1.1051
palmitoleoylcarnitine (C16:1)*	0.9956	1.0063
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	0.9993	1.0010
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*	1.0814	0.8844
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*	0.9559	1.0626
palmitoylcarnitine (C16)	0.8993	1.1429
palmitoylcholine	1.0617	0.9124
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	1.0577	0.9180
palmitoyl ethanolamide	0.9518	1.0684
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	0.9343	1.0933
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	0.9202	1.1133
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	0.8863	1.1614
palmitoyl sphingomyelin (d18:1/16:0)	1.0180	0.9745
pantothenate	0.9698	1.0429
paraxanthine	0.8096	1.2702
p-cresol-glucuronide*	1.1369	0.8056
p-cresol sulfate	0.9468	1.0755
pentadecanoate (15:0)	1.0734	0.8958
perfluorooctanesulfonic acid (PFOS)	0.9157	1.1196
phenol sulfate	0.8682	1.1870
phenylacetate	1.0038	0.9946
phenylacetylcarnitine	0.9263	1.1047
phenylacetylglutamate	1.0411	0.9417
phenylacetylglutamine	0.9612	1.0550
phenylalanine	0.9435	1.0801
phenyllactate (PLA)	0.8556	1.2050
phenylpyruvate	0.8910	1.1547
phosphate	1.0182	0.9741
phosphoethanolamine	1.0253	0.9641
phytanate	1.0009	0.9988
picolinate	0.8629	1.1946
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	0.8136	1.2646
pipecolate	1.2059	0.7077
piperine	0.9977	1.0033
pregnanediol-3-glucuronide	1.3902	0.4461
pregnanolone/allopregnanolone sulfate	1.4618	0.3446
pregnen-diol disulfate*	0.9007	1.1410
pregnenolone sulfate	0.9463	1.0762
pregn steroid monosulfate*	0.8147	1.2630
pristanate	0.9644	1.0505
pro-hydroxy-pro	0.8828	1.1663
proline	0.8953	1.1486
prolylglycine	0.8011	1.2823
propionylcarnitine (C3)	0.7935	1.2930
propionylglycine	0.8912	1.1544
propyl 4-hydroxybenzoate sulfate	1.3710	0.4735
pseudouridine	0.9586	1.0588
pyridoxal	0.9444	1.0789
pyridoxate	0.8588	1.2004
pyroglutamine*	0.7212	1.3957
pyrraline	0.9618	1.0542
pyruvate	0.9598	1.0570
quetiapine	1.0000	1.0000
quinate	0.7416	1.3668
quinine	0.9538	1.0656
quinolinate	0.9405	1.0844
retinal	1.0031	0.9956
retinol (Vitamin A)	0.9428	1.0811
ribitol	0.9901	1.0140
ribonate	1.0002	0.9997
ribose	1.0125	0.9823
S-1-pyrroline-5-carboxylate	0.8756	1.1766
saccharin	0.7537	1.3496
S-adenosylhomocysteine (SAH)	0.9681	1.0453
salicylate	0.9366	1.0900
salicyluric glucuronide*	0.9315	1.0973
S-allylcysteine	0.6602	1.4822
sarcosine	0.9440	1.0795
sebacate (decanedioate)	1.0295	0.9581
serine	1.0250	0.9645
serotonin	1.0747	0.8939
S-methylcysteine	1.1220	0.8268
S-methylcysteine sulfoxide	1.1720	0.7558
S-methylmethionine	1.0547	0.9223
spermidine	0.9668	1.0471
sphinganine	1.0922	0.8692
sphinganine-1-phosphate	1.0305	0.9567
sphingomyelin (d17:2/16:0, d18:2/15:0)*	1.0440	0.9376
sphingomyelin (d18:0/18:0, d19:0/17:0)*	0.9855	1.0206
sphingomyelin (d18:0/20:0, d16:0/22:0)*	0.9506	1.0701
sphingomyelin (d18:1/14:0, d16:1/16:0)*	0.9915	1.0120
sphingomyelin (d18:1/15:0, d16:1/17:0)*	0.9923	1.0109
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	1.0251	0.9643
sphingomyelin (d18:1/18:1, d18:2/18:0)	1.0485	0.9312
sphingomyelin (d18:1/19:0, d19:1/18:0)*	1.0490	0.9304
sphingomyelin (d18:1/20:0, d16:1/22:0)*	0.9896	1.0148
sphingomyelin (d18:1/20:1, d18:2/20:0)*	1.0576	0.9183
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)*	1.1240	0.8240
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	0.9996	1.0006
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	1.0116	0.9835
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*	1.0832	0.8819
sphingomyelin (d18:1/24:1, d18:2/24:0)*	1.0226	0.9679
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*	0.9235	1.1087
sphingomyelin (d18:2/14:0, d18:1/14:1)*	1.0924	0.8688
sphingomyelin (d18:2/16:0, d18:1/16:1)*	1.0289	0.9590
sphingomyelin (d18:2/18:1)*	1.0256	0.9636
sphingomyelin (d18:2/21:0, d16:2/23:0)*	1.0954	0.8645
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*	1.0473	0.9329
sphingomyelin (d18:2/23:1)*	1.0829	0.8823
sphingomyelin (d18:2/24:1, d18:1/24:2)*	1.0469	0.9334
sphingomyelin (d18:2/24:2)*	1.1126	0.8401
sphingosine	1.0587	0.9167
sphingosine 1-phosphate	0.9915	1.0120
stachydrine	1.0779	0.8895
stearate (18:0)	1.0274	0.9611
stearidonate (18:4n3)	1.1326	0.8117
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*	1.0060	0.9915
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	0.9852	1.0210
stearoylcarnitine (C18)	0.8656	1.1908
stearoylcholine*	1.0304	0.9568
stearoyl ethanolamide	1.0265	0.9624
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*	0.8097	1.2701
stearoyl sphingomyelin (d18:1/18:0)	1.0221	0.9686
suberate (octanedioate)	0.7691	1.3278
suberoylcarnitine (C8-DC)	1.0200	0.9717
succinate	0.9999	1.0001
succinimide	0.9316	1.0970
succinylcarnitine (C4-DC)	0.9093	1.1287
sucralose	0.8603	1.1983
sulfate*	1.0069	0.9903
tartarate	1.0409	0.9419
tartronate (hydroxymalonate)	1.1076	0.8473
taurine	1.0228	0.9676
tauro-beta-muricholate	1.1676	0.7622
taurochenodeoxycholate	1.0927	0.8684
taurocholate	1.0196	0.9722
taurocholenate sulfate	1.1299	0.8156
taurodeoxycholate	1.0308	0.9563
taurolithocholate 3-sulfate	1.1752	0.7513
testosterone sulfate	0.7223	1.3942
tetradecanedioate	1.1192	0.8309
theanine	0.9959	1.0059
theobromine	0.8977	1.1452
theophylline	0.9774	1.0320
thioproline	0.9218	1.1109
threonate	1.0748	0.8938
threonine	0.9994	1.0009
thymol sulfate	0.5820	1.5933
thyroxine	1.0573	0.9186
tigloylglycine	0.8976	1.1453
tiglylcarnitine (C5:1-DC)	0.7692	1.3276
trans-4-hydroxyproline	0.9753	1.0350
trans-urocanate	0.9923	1.0109
tricosanoyl sphingomyelin (d18:1/23:0)*	1.0121	0.9829
trigonelline (N^-methylnicotinate)	0.8881	1.1589
trimethylamine N-oxide	0.8832	1.1657
tryptophan	0.9222	1.1105
tryptophan betaine	1.0775	0.8900
tyramine O-sulfate	0.6595	1.4833
tyrosine	0.9065	1.1327
umbelliferone sulfate	0.9180	1.1164
uracil	0.9239	1.1080
urate	0.8897	1.1566
urea	0.8415	1.2250
uridine	0.9633	1.0521
ursodeoxycholate	0.7969	1.2883
ursodeoxycholate sulfate (1)	0.8609	1.1974
valerate	1.0878	0.8753
valine	0.8963	1.1472
valylglutamine	0.9523	1.0677
valylglycine	0.8334	1.2365
valylleucine	0.8120	1.2668
vanillactate	0.9895	1.0149
vanillylmandelate (VMA)	0.9387	1.0869
xanthine	0.9558	1.0628
xanthosine	0.9466	1.0757
xanthurenate	0.8014	1.2819
ximenoylcarnitine (C26:1)*	0.8537	1.2076

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Factors:

F1	Sex:Female
F2	Sex:Male