Data for (Study ST003877)

(Analysis AN006369)

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

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Metabolite	F1	F2
11-Meo-fes	0.8028	1.1972
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one	1.0512	0.9488
1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamine	0.9348	1.0652
13,14-dihydro-15-keto Prostaglandin D2-d4	0.6342	1.3658
1,3,5,11-Bisabolatetraen-10-one	0.9546	1.0454
1,3-Diisopropylbenzene	0.7989	1.2011
1,4,9-Cadinatriene	0.9540	1.0460
14-Eicosatetraynoic acid	1.1790	0.8210
15-keto-PGF1alpha	1.0857	0.9143
17-Hydroxy-E4-neuroprostane	0.7110	1.2890
17-hydroxyprogesterone caproate	1.1478	0.8522
1,8-Menthadien-2-ol	0.6255	1.3745
1-Cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea	1.3390	0.6610
1-Pentanethiol	0.9768	1.0232
(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol	0.9532	1.0468
(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one	1.0583	0.9417
20alpha-Dihydroprogesterone	1.2535	0.7465
20-Hydroxy-PGF2a	0.9983	1.0017
2,3,4,5,6,7-Hexahydro-7-methylcyclopent[b]azepin-8(1H)-one	1.0718	0.9282
2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine	0.9777	1.0223
2,3-Dihydroxycarbamazepine	0.8433	1.1567
2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol	0.9533	1.0467
2,6-Diisopropyl-3-methylphenol	0.9352	1.0648
2-(7^-methylthio)heptylmalate	1.0613	0.9387
2-Amino-2-methyl-1,3-propanediol	0.9992	1.0008
2-Amino-3-methyl-1-butanol	0.9852	1.0148
2-Aminoheptanoate	0.9937	1.0063
2E,4Z-Heptadienal	1.1673	0.8327
2-Ethoxy-1-methyl-4-(1-methylethyl)benzene	1.0023	0.9977
2-Ethyl-6-hydroxyhexanoic acid	1.0583	0.9417
2-Hydroxy-cis-hex-2,4-dienoate	1.3693	0.6307
(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone	0.6567	1.3433
2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-one	0.8982	1.1018
2-Methyl-5-propyloxazole	1.0023	0.9977
2-n-Propylthiazolidine-4-carboxylic acid	0.5474	1.4526
(2s)-2-[[(2s)-2-Acetamido-5-[[n-(Methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-Methyl-Amino]-3-Phenyl-Propanoic Acid	1.0962	0.9038
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one	0.9376	1.0624
3-[(1S,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z,8Z,11Z)-3-hydroxytetradeca-1,5,8,11-tetraen-1-yl]-3-oxocyclopentyl]propanoylcarnitine	0.9144	1.0856
3,4-Dimethyl-5-pentyl-2-furanpentadecanoic acid	0.8669	1.1331
3,5,5-Trimethyl-2-cyclopenten-1-one	0.9321	1.0679
3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one	0.9460	1.0540
3-Amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-ol	0.9385	1.0615
3beta,7alpha-Dihydroxy-5-cholestenoate	1.0535	0.9465
3^^-Deamino-3^^-hydroxykanamycin B	1.0328	0.9672
3-Hexenal	0.9748	1.0252
3-Indoleacetic Acid	0.9749	1.0251
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	1.1136	0.8864
3-Methylcyclopentene	1.1674	0.8326
(3xi,5Z)-1,5-Octadien-3-ol	1.0277	0.9723
4-(Aminobutyl)guanidine	0.9552	1.0448
4E,8-Nonadienal	0.8654	1.1346
4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al	1.1373	0.8627
4-Guanidinobutanoate	0.9955	1.0045
4-Hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl	1.0059	0.9941
4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one	1.0811	0.9189
4-Hydroxy-L-threonine	0.8995	1.1005
4-Hydroxystachydrine	0.6293	1.3707
4-Tiglylcarnitine	0.7409	1.2591
5-(2-Aminopropyl)benzofuran	0.9580	1.0420
5-Formiminotetrahydrofolate	1.3725	0.6275
5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one	1.1439	0.8561
5-L-Glutamyl-taurine	0.9062	1.0938
5-O-[2-(4-Benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate	1.0700	0.9300
5^-O-Methylmelledonal	1.8158	0.1842
6,10-dimethyl-9-methylene-undec-5E-en-2-one	1.2302	0.7698
6-Amino-N-[6-keto-6-(6-ketohexylamino)hexyl]hexanamide	1.0798	0.9202
6-Benzylaminopurine	0.8056	1.1944
(6E,8E)-4,6,8-Megastigmatriene	0.9200	1.0800
7,10-Hexadecadiynoic acid	0.9829	1.0171
7(14)-Farnesene-9,12-diol	1.0027	0.9973
7,8-Diaminononanoate	0.5195	1.4805
7-Methylguanine	0.9483	1.0517
8-Isoquinoline methanamine (hydrochloride)	0.9226	1.0774
8-methoxy-13-hydroxy-9,11-octadecadienoic acid	1.0854	0.9146
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-17-one	0.9688	1.0312
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate	0.9917	1.0083
9Z,11E,13-Tetradecatrienal	0.9575	1.0425
Abscisate	0.9602	1.0398
Ala-Ala-Ala	1.1043	0.8957
alpha-Santalal	0.9309	1.0691
Androsterol	0.9351	1.0649
Asn Ile Asp Lys	0.9694	1.0306
Asparaginylarginine	1.0672	0.9328
Asparaginylglycine	0.8614	1.1386
Asp-Phe methyl ester	0.9756	1.0244
beta-Alanyl-L-lysine	0.9906	1.0094
beta-santalol	0.8704	1.1296
Biocytin	0.8026	1.1974
Blasticidin S	0.9964	1.0036
Buparvaquone	0.9270	1.0730
C17 Sphinganine	0.9685	1.0315
Caffeinol	0.9637	1.0363
Calcitriol	0.9382	1.0618
Caprylic acid	0.8610	1.1390
Carbazole	0.9049	1.0951
CDP-DG(16:0/PGF1alpha)	1.2112	0.7888
Chembl4238926	1.0751	0.9249
Chenodeoxycholic acid sulfate	0.9490	1.0510
cis-3-Hexenyl phenylacetate	0.9198	1.0802
cis-6,7-epoxy-9Z-heptadecene	0.9406	1.0594
cis-Linoleic acid	0.8435	1.1565
cis-Methylbixin	1.0998	0.9002
cis-p-Menth-2-en-1-ol	0.8276	1.1724
cis-Uvariamicin IB	0.9159	1.0841
Cohibin C	0.8046	1.1954
Coumarin 102	1.0246	0.9754
Coumarin 30	0.9357	1.0643
Curcumin II	0.8180	1.1820
Cyclododecanone	1.0700	0.9300
Cyclohexa-2,4-dienylmethanol	1.0152	0.9848
Cyclohexane-1-carboxylate	0.9096	1.0904
Cyclooctatin	1.3084	0.6916
Cyclopentanol	1.0934	0.9066
Cys Gly Arg Ser	0.9596	1.0404
Dalamid	0.8758	1.1242
Deferiprone	0.6823	1.3177
Dehydroepiandrosterone sulfate	0.9859	1.0141
Deoxycholic acid	0.9910	1.0090
Deoxycholic acid 3-glucuronide	0.7874	1.2126
Deoxyspergualin	0.9843	1.0157
D-erythro-D-galacto-octitol	0.8761	1.1239
DG(15:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)	0.8901	1.1099
DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	0.5288	1.4712
DG(18:0/18:3(10,12,15)-OH(9)/0:0)	1.2224	0.7776
DG(18:2n6/0:0/20:4n3)	0.9546	1.0454
DG(18:3(9,11,15)-OH(13)/18:0/0:0)	1.0402	0.9598
DG(20:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0)	0.9270	1.0730
DG(8:0/15:0/0:0)	0.9890	1.0110
DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)	0.9846	1.0154
Dihydroceramide	0.9503	1.0497
Dihydroclavaminic acid	1.1334	0.8666
Dihydroshikonofuran	0.9231	1.0769
Docetaxel anhydrous	0.9865	1.0135
D-Urobilinogen	0.9193	1.0807
(E)-3-Hexen-1-ol	0.7960	1.2040
Ectocarpen	1.0950	0.9050
Eicosapentaenoyl Ethanolamide	0.8420	1.1580
Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-	0.4418	1.5582
Ethyl menthane carboxamide	0.9524	1.0476
Evobioside	1.0306	0.9694
exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol	1.0501	0.9499
Feruloylagmatine	1.1162	0.8838
Feruloyldihydro-beta-sitosterol	1.2392	0.7608
Fluorohydrocortisone	0.8596	1.1404
Formylisoglutamine	0.7025	1.2975
Fudosteine	1.0453	0.9547
Fuziline	0.9908	1.0092
gamma-L-Glutamyl-L-pipecolic acid	1.5089	0.4911
GDP	1.0639	0.9361
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate	0.9593	1.0407
gibberellin A51-catabolite	0.9609	1.0391
Gln Gln Cys Gln	0.8588	1.1412
Glucitol-lysine	0.7636	1.2364
Glutaminylproline	1.0240	0.9760
Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside]	0.8641	1.1359
Gramicidin S	1.3143	0.6857
Hexadecenoylcarnitine	1.0720	0.9280
His Arg His Trp	0.9915	1.0085
Humulenol II	0.4258	1.5742
Hydroxypelenolide	0.9620	1.0380
Hydroxyurea	1.1721	0.8279
Irofulven	1.0001	0.9999
Isofloxythepin	1.0309	0.9691
Isokobusone	0.6109	1.3891
iso-pentyl	0.7946	1.2054
Ixocarpalactone B	1.0138	0.9862
Lersivirine	0.8322	1.1678
Leurubicin	0.9775	1.0225
L-Furosine	0.8495	1.1505
L-gamma-Glutamyl-(3R)-L-beta-ethynylserine	0.9416	1.0584
L-Gulonic ??-lactone	1.1154	0.8846
Linoleylanilide	0.8497	1.1503
Lithocholate 3-O-glucuronide	0.9033	1.0967
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-	0.9267	1.0733
LysoPE(P-18:1(9Z)/0:0)	1.0178	0.9822
Mepivacaine	0.8911	1.1089
Methionyl-Valine	1.0954	0.9046
Methocarbamol	0.9366	1.0634
Muricin D	0.9714	1.0286
m-Xylene	0.6764	1.3236
N1,N5,N10-Tris-trans-p-coumaroylspermine	0.9998	1.0002
N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	0.9820	1.0180
N-(3-Hydroxypropyl)valine	0.8992	1.1008
N-[4-[Acetyl(3-aminopropyl)amino]butyl]-N-(3-aminopropyl)acetamide	0.9132	1.0868
N-Acetylsphinganine	1.1107	0.8893
N-Desmethyl Topotecan	1.0822	0.9178
N-(Dimethylamino)methylene-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanine	1.0497	0.9503
N-Docosahexaenoyl Glycine	1.1065	0.8935
Neoandrographolide	0.8608	1.1392
Nifedipine	0.9326	1.0674
N-Myristoyl Arginine	0.9198	1.0802
N-Myristoyl Glutamic acid	0.9959	1.0041
N-Myristoyl Glutamine	0.8086	1.1914
Norecasantalol	0.8856	1.1144
N-Palmitoyl Isoleucine	0.9304	1.0696
N-Stearoyl Cysteine	0.9560	1.0440
Octadecanedioic acid	0.5773	1.4227
PA(10:0/PGF1alpha)	0.4984	1.5016
PA(21:0/20:3(8Z,11Z,14Z)-2OH(5,6))	0.4487	1.5513
Palmitic amide	1.0489	0.9511
Pantoyllactone glucoside	1.0358	0.9642
Parasorbic acid	0.9835	1.0165
Partricin A	0.8750	1.1250
PC(18:1(12Z)-2OH(9,10)/P-18:1(11Z))	1.0308	0.9692
PC(22:3(10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))	0.9594	1.0406
PE(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))	0.9749	1.0251
Pectenotoxin 2	0.8928	1.1072
Perilloside B	1.0265	0.9735
Pheophorbide a	0.9926	1.0074
Pirfenidone	0.4993	1.5007
Pirmagrel	0.9169	1.0831
PM-Toxin A	1.0743	0.9257
Pregnanediol	0.9851	1.0149
PS(14:0/24:1(15Z))	1.0040	0.9960
PS(18:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))	0.9582	1.0418
PS(PGJ2/22:0)	0.9785	1.0215
Quercetin 3-O-diglucoside	1.0194	0.9806
(R)-3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one	1.0743	0.9257
(R)-5-Diphosphomevalonate	0.8847	1.1153
Retinoic acid	0.9153	1.0847
Rhizocticin A	0.9818	1.0182
(R)-Lipoate	0.8526	1.1474
Sabinene hydrate	1.0520	0.9480
Sambutoxin	0.9237	1.0763
Sapidolide A	0.9415	1.0585
Serylvalylglycylglutamic acid	0.7744	1.2256
Shikimate 3-phosphate	0.8793	1.1207
SM(d18:0/18:1(9Z)-O(12,13))	0.7664	1.2336
SM(d18:1/LTE4)	0.5083	1.4917
SM(d18:2(4E,14Z)/6 keto-PGF1alpha)	1.0285	0.9715
Sorgolactone	0.9316	1.0684
(S)-(-)-Perillyl alcohol	0.9825	1.0175
Squamostanal A	0.8283	1.1717
Tabtoxinine-delta-lactam	1.5291	0.4709
Tanshinone IIA	1.0008	0.9992
Tecostanine	0.9842	1.0158
trans-Cinnamic acid	0.9909	1.0091
(????)-trans-Nerolidol	0.8318	1.1682
Trimethylolpropane trimethacrylate	1.0036	0.9964
Undecane	0.8571	1.1429
Validone 7-phosphate	0.9798	1.0202
Vinaginsenoside R12	0.7227	1.2773
Vitamin D2	1.0174	0.9826
xi-5-Hydroxydodecanoic acid	0.8477	1.1523
(??)-(Z)-2-(5-Tetradecenyl)cyclobutanone	1.0151	0.9849

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Factors:

F1	Rat type:GF
F2	Rat type:SPF