Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2
11-Meo-fes	2800371.70	4176495.48
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one	3118793.32	2815068.91
1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamine	4026247.52	4587517.80
13,14-dihydro-15-keto Prostaglandin D2-d4	3061581.03	6593886.76
1,3,5,11-Bisabolatetraen-10-one	4175291.92	4572313.62
1,3-Diisopropylbenzene	2253962.62	3388526.78
1,4,9-Cadinatriene	4519860.84	4955943.16
14-Eicosatetraynoic acid	6419466.26	4470232.33
15-keto-PGF1alpha	4100891.81	3453550.14
17-Hydroxy-E4-neuroprostane	2478626.01	4493550.50
17-hydroxyprogesterone caproate	4319136.30	3206821.15
1,8-Menthadien-2-ol	1778309.22	3907984.69
1-Cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylph...	5869650.02	2897640.02
1-Pentanethiol	4195782.40	4394842.36
(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol	4348092.19	4775172.18
(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca...	3141558.60	2795517.02
20alpha-Dihydroprogesterone	5692747.03	3390172.81
20-Hydroxy-PGF2a	4403280.18	4418141.66
2,3,4,5,6,7-Hexahydro-7-methylcyclopent[b]azepin-8(1H)-one	2795864.89	2421297.71
2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine	2421064.32	2531702.80
2,3-Dihydroxycarbamazepine	5643082.08	7739832.87
2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol	2457171.00	2697776.50
2,6-Diisopropyl-3-methylphenol	4137909.54	4711273.84
2-(7^-methylthio)heptylmalate	2925407.34	2587256.94
2-Amino-2-methyl-1,3-propanediol	4036082.24	4042706.89
2-Amino-3-methyl-1-butanol	4162325.56	4287509.81
2-Aminoheptanoate	4307850.28	4362741.19
2E,4Z-Heptadienal	5293235.23	3775947.28
2-Ethoxy-1-methyl-4-(1-methylethyl)benzene	217257.59	216273.18
2-Ethyl-6-hydroxyhexanoic acid	3470987.30	3088630.25
2-Hydroxy-cis-hex-2,4-dienoate	4771926.23	2198060.24
(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone	6624478.54	13550819.06
2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-one	6202494.30	7608430.63
2-Methyl-5-propyloxazole	4098673.49	4079651.64
2-n-Propylthiazolidine-4-carboxylic acid	3545599.78	9408870.79
(2s)-2-[[(2s)-2-Acetamido-5-[[n-(Methylcarbamoyl)carbamimido...	3091632.75	2548975.51
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one	4332231.88	4909082.61
3-[(1S,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z,8Z,11Z)-3-hydroxytetrad...	5989895.84	7111003.20
3,4-Dimethyl-5-pentyl-2-furanpentadecanoic acid	3841501.90	5021197.01
3,5,5-Trimethyl-2-cyclopenten-1-one	3347522.16	3835412.74
3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one	3174460.90	3536719.68
3-Amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-ol	4255492.29	4812850.05
3beta,7alpha-Dihydroxy-5-cholestenoate	2680706.18	2408211.91
3^^-Deamino-3^^-hydroxykanamycin B	3012466.61	2821294.14
3-Hexenal	4553196.36	4788360.39
3-Indoleacetic Acid	3764658.64	3958365.01
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	2502903.30	1992375.16
3-Methylcyclopentene	4734409.18	3376394.46
(3xi,5Z)-1,5-Octadien-3-ol	4497782.35	4255536.27
4-(Aminobutyl)guanidine	4906562.76	5367146.62
4E,8-Nonadienal	5873657.28	7700940.10
4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al	4791038.07	3634589.66
4-Guanidinobutanoate	2670249.18	2694284.40
4-Hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl	4067696.87	4019637.11
4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dih...	4490012.05	3816355.88
4-Hydroxy-L-threonine	2535576.75	3102244.21
4-Hydroxystachydrine	1807786.23	3937773.35
4-Tiglylcarnitine	1940866.44	3298333.65
5-(2-Aminopropyl)benzofuran	4415187.02	4802535.39
5-Formiminotetrahydrofolate	6794398.82	3106576.19
5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one	2802954.32	2097537.45
5-L-Glutamyl-taurine	4291022.57	5178978.16
5-O-[2-(4-Benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dim...	2499313.56	2172438.54
5^-O-Methylmelledonal	15370543.49	1558849.02
6,10-dimethyl-9-methylene-undec-5E-en-2-one	7205964.81	4509199.71
6-Amino-N-[6-keto-6-(6-ketohexylamino)hexyl]hexanamide	3229053.70	2751623.78
6-Benzylaminopurine	6514832.34	9659442.38
(6E,8E)-4,6,8-Megastigmatriene	4912560.48	5766713.38
7,10-Hexadecadiynoic acid	4441711.66	4596490.08
7(14)-Farnesene-9,12-diol	4980507.76	4953808.21
7,8-Diaminononanoate	6005822.76	17114137.31
7-Methylguanine	2815483.85	3122702.59
8-Isoquinoline methanamine (hydrochloride)	4239575.21	4950836.69
8-methoxy-13-hydroxy-9,11-octadecadienoic acid	2468542.76	2080255.95
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-4,6,7,8,9,11,12,14,15,16...	5487052.15	5840042.99
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate	4896865.41	4979212.75
9Z,11E,13-Tetradecatrienal	4343676.94	4729347.41
Abscisate	3773704.03	4086272.27
Ala-Ala-Ala	2575512.86	2089032.41
alpha-Santalal	3289650.55	3777717.05
Androsterol	6961266.52	7927256.06
Asn Ile Asp Lys	3589216.66	3815753.28
Asparaginylarginine	3138492.52	2743121.42
Asparaginylglycine	3358021.73	4438689.88
Asp-Phe methyl ester	2735755.77	2872637.89
beta-Alanyl-L-lysine	5752532.57	5862219.03
beta-santalol	6080116.41	7890989.36
Biocytin	1855080.20	2767577.26
Blasticidin S	4299947.28	4330803.50
Buparvaquone	4240466.67	4908541.69
C17 Sphinganine	4791247.57	5102463.00
Caffeinol	3838977.38	4128453.92
Calcitriol	6279859.39	7107765.23
Caprylic acid	3601631.25	4764471.74
Carbazole	3786952.10	4582709.47
CDP-DG(16:0/PGF1alpha)	5741183.98	3739167.37
Chembl4238926	5262665.74	4527024.46
Chenodeoxycholic acid sulfate	2453962.54	2717964.35
cis-3-Hexenyl phenylacetate	4197153.59	4929317.04
cis-6,7-epoxy-9Z-heptadecene	4009523.42	4515757.63
cis-Linoleic acid	3800461.14	5211065.16
cis-Methylbixin	10833371.31	8867367.77
cis-p-Menth-2-en-1-ol	4695696.33	6652485.85
cis-Uvariamicin IB	3169731.58	3751525.22
Cohibin C	2842423.48	4223395.71
Coumarin 102	6816097.40	6488450.65
Coumarin 30	4013357.98	4565213.99
Curcumin II	2579127.02	3726789.31
Cyclododecanone	2453642.13	2132457.20
Cyclohexa-2,4-dienylmethanol	3956016.82	3837473.45
Cyclohexane-1-carboxylate	6260452.24	7504446.02
Cyclooctatin	37165232.59	19644726.79
Cyclopentanol	2658429.43	2204070.50
Cys Gly Arg Ser	4012547.40	4350281.76
Dalamid	2839384.08	3644398.70
Deferiprone	2293476.17	4429744.74
Dehydroepiandrosterone sulfate	3493231.05	3592859.32
Deoxycholic acid	5833005.87	5938525.72
Deoxycholic acid 3-glucuronide	3603230.51	5548963.74
Deoxyspergualin	5409110.46	5581762.58
D-erythro-D-galacto-octitol	2902909.43	3723800.74
DG(15:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)	2648219.11	3302286.84
DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	2101295.73	5845654.14
DG(18:0/18:3(10,12,15)-OH(9)/0:0)	2078000.69	1321782.67
DG(18:2n6/0:0/20:4n3)	5310930.09	5815860.13
DG(18:3(9,11,15)-OH(13)/18:0/0:0)	3601478.27	3323314.85
DG(20:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0)	3690263.89	4271746.64
DG(8:0/15:0/0:0)	4899492.62	5008424.17
DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)	3494582.77	3603776.98
Dihydroceramide	4051140.93	4475258.49
Dihydroclavaminic acid	841760.40	643615.70
Dihydroshikonofuran	6324004.72	7377320.13
Docetaxel anhydrous	4299419.18	4417507.71
D-Urobilinogen	5241344.80	6161944.07
(E)-3-Hexen-1-ol	2800598.04	4235890.46
Ectocarpen	4860435.75	4016876.23
Eicosapentaenoyl Ethanolamide	2921311.94	4017805.03
Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-	1720282.02	6068030.49
Ethyl menthane carboxamide	2808516.62	3088983.46
Evobioside	2172682.01	2043742.88
exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol	4448603.53	4024204.52
Feruloylagmatine	5652455.55	4475713.14
Feruloyldihydro-beta-sitosterol	3460256.93	2124267.65
Fluorohydrocortisone	3728674.29	4947039.30
Formylisoglutamine	2261260.86	4176483.52
Fudosteine	4321905.57	3947397.97
Fuziline	3417248.18	3480586.64
gamma-L-Glutamyl-L-pipecolic acid	1206190.13	392524.82
GDP	3113408.98	2739283.85
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate	6521572.09	7075374.08
gibberellin A51-catabolite	3906945.20	4224924.15
Gln Gln Cys Gln	5017894.33	6668364.40
Glucitol-lysine	5136887.92	8317895.03
Glutaminylproline	2869327.59	2734969.86
Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[al...	3930722.87	5166627.45
Gramicidin S	3839922.30	2003157.79
Hexadecenoylcarnitine	4829607.63	4181091.86
His Arg His Trp	6646605.41	6760011.09
Humulenol II	6538177.20	24174409.01
Hydroxypelenolide	3159655.27	3409057.55
Hydroxyurea	6286240.08	4440278.06
Irofulven	3573084.69	3572461.27
Isofloxythepin	4216101.53	3963623.10
Isokobusone	4788329.69	10887069.19
iso-pentyl	2334566.47	3541229.98
Ixocarpalactone B	4634782.54	4508424.20
Lersivirine	463496.79	650450.17
Leurubicin	4099500.94	4287917.13
L-Furosine	2847539.91	3856122.17
L-gamma-Glutamyl-(3R)-L-beta-ethynylserine	3432642.37	3858796.10
L-Gulonic ??-lactone	4420604.04	3506025.04
Linoleylanilide	7495222.64	10146605.92
Lithocholate 3-O-glucuronide	4412672.91	5357345.06
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-	3908343.93	4526346.64
LysoPE(P-18:1(9Z)/0:0)	4405573.70	4251117.24
Mepivacaine	6307895.72	7850136.88
Methionyl-Valine	4862249.31	4015051.42
Methocarbamol	3295735.37	3741833.37
Muricin D	3797687.64	4021510.58
m-Xylene	2872978.23	5622278.39
N1,N5,N10-Tris-trans-p-coumaroylspermine	4162763.36	4164709.55
N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Gly...	4314311.16	4472435.95
N-(3-Hydroxypropyl)valine	3767913.06	4612969.61
N-[4-[Acetyl(3-aminopropyl)amino]butyl]-N-(3-aminopropyl)ace...	3734445.75	4444276.15
N-Acetylsphinganine	4365888.42	3495460.99
N-Desmethyl Topotecan	758532.42	643308.33
N-(Dimethylamino)methylene-9-((2-hydroxy-1-(hydroxymethyl)et...	4247089.29	3845212.16
N-Docosahexaenoyl Glycine	7313432.53	5905202.45
Neoandrographolide	6415794.03	8491108.00
Nifedipine	3768814.00	4313191.92
N-Myristoyl Arginine	4763788.91	5594288.31
N-Myristoyl Glutamic acid	4168502.11	4203155.95
N-Myristoyl Glutamine	6734827.91	9922629.60
Norecasantalol	3408073.38	4288665.87
N-Palmitoyl Isoleucine	4946419.41	5686924.01
N-Stearoyl Cysteine	3917017.76	4277515.98
Octadecanedioic acid	8384207.48	20661338.32
PA(10:0/PGF1alpha)	2219656.81	6687821.75
PA(21:0/20:3(8Z,11Z,14Z)-2OH(5,6))	6260479.46	21646099.69
Palmitic amide	4291636.29	3891797.98
Pantoyllactone glucoside	4565217.98	4250035.14
Parasorbic acid	3566214.94	3685843.53
Partricin A	3089217.35	3972100.21
PC(18:1(12Z)-2OH(9,10)/P-18:1(11Z))	3974196.91	3736540.42
PC(22:3(10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))	3041119.80	3298201.44
PE(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))	6439740.13	6771826.52
Pectenotoxin 2	5081247.79	6301806.46
Perilloside B	4484123.75	4252386.48
Pheophorbide a	4531246.32	4598804.75
Pirfenidone	3684825.38	11073892.50
Pirmagrel	3956367.61	4673631.98
PM-Toxin A	3202240.34	2759293.77
Pregnanediol	5866130.43	6043160.69
PS(14:0/24:1(15Z))	4031425.38	3999164.16
PS(18:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))	4134583.41	4495606.81
PS(PGJ2/22:0)	3153777.39	3292284.36
Quercetin 3-O-diglucoside	3680227.66	3540246.75
(R)-3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one	5482022.08	4723297.53
(R)-5-Diphosphomevalonate	3920988.14	4943086.98
Retinoic acid	3363706.40	3986022.72
Rhizocticin A	4314075.05	4473813.04
(R)-Lipoate	4558147.70	6134098.08
Sabinene hydrate	4135422.42	3726702.97
Sambutoxin	3893984.72	4537387.60
Sapidolide A	4140857.25	4655389.92
Serylvalylglycylglutamic acid	2592747.84	4103773.81
Shikimate 3-phosphate	7611362.96	9701727.96
SM(d18:0/18:1(9Z)-O(12,13))	2783630.18	4480284.49
SM(d18:1/LTE4)	6551250.88	19226232.99
SM(d18:2(4E,14Z)/6 keto-PGF1alpha)	3926552.90	3708725.25
Sorgolactone	4046261.27	4640315.33
(S)-(-)-Perillyl alcohol	3636787.01	3766477.71
Squamostanal A	2780482.44	3933326.65
Tabtoxinine-delta-lactam	23747379.80	7313766.73
Tanshinone IIA	1655055.69	1652450.85
Tecostanine	3745786.92	3866139.75
trans-Cinnamic acid	6134653.31	6247078.65
(????)-trans-Nerolidol	893153.09	1254312.97
Trimethylolpropane trimethacrylate	4999879.63	4964407.68
Undecane	3862106.68	5149678.23
Validone 7-phosphate	5292974.89	5510719.85
Vinaginsenoside R12	2165412.95	3827352.73
Vitamin D2	3995038.02	3858622.30
xi-5-Hydroxydodecanoic acid	3132220.46	4257808.25
(??)-(Z)-2-(5-Tetradecenyl)cyclobutanone	9914248.82	9618732.17

11-Meo-fes

2800371.70

4176495.48

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one

3118793.32

2815068.91

1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamine

4026247.52

4587517.80

13,14-dihydro-15-keto Prostaglandin D2-d4

3061581.03

6593886.76

1,3,5,11-Bisabolatetraen-10-one

4175291.92

4572313.62

1,3-Diisopropylbenzene

2253962.62

3388526.78

1,4,9-Cadinatriene

4519860.84

4955943.16

14-Eicosatetraynoic acid

6419466.26

4470232.33

15-keto-PGF1alpha

4100891.81

3453550.14

17-Hydroxy-E4-neuroprostane

2478626.01

4493550.50

17-hydroxyprogesterone caproate

4319136.30

3206821.15

1,8-Menthadien-2-ol

1778309.22

3907984.69

1-Cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylph...

5869650.02

2897640.02

1-Pentanethiol

4195782.40

4394842.36

(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol

4348092.19

4775172.18

(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca...

3141558.60

2795517.02

20alpha-Dihydroprogesterone

5692747.03

3390172.81

20-Hydroxy-PGF2a

4403280.18

4418141.66

2,3,4,5,6,7-Hexahydro-7-methylcyclopent[b]azepin-8(1H)-one

2795864.89

2421297.71

2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine

2421064.32

2531702.80

2,3-Dihydroxycarbamazepine

5643082.08

7739832.87

2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol

2457171.00

2697776.50

2,6-Diisopropyl-3-methylphenol

4137909.54

4711273.84

2-(7^-methylthio)heptylmalate

2925407.34

2587256.94

2-Amino-2-methyl-1,3-propanediol

4036082.24

4042706.89

2-Amino-3-methyl-1-butanol

4162325.56

4287509.81

2-Aminoheptanoate

4307850.28

4362741.19

2E,4Z-Heptadienal

5293235.23

3775947.28

2-Ethoxy-1-methyl-4-(1-methylethyl)benzene

217257.59

216273.18

2-Ethyl-6-hydroxyhexanoic acid

3470987.30

3088630.25

2-Hydroxy-cis-hex-2,4-dienoate

4771926.23

2198060.24

(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone

6624478.54

13550819.06

2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-one

6202494.30

7608430.63

2-Methyl-5-propyloxazole

4098673.49

4079651.64

2-n-Propylthiazolidine-4-carboxylic acid

3545599.78

9408870.79

(2s)-2-[[(2s)-2-Acetamido-5-[[n-(Methylcarbamoyl)carbamimido...

3091632.75

2548975.51

3,11,12-Trihydroxy-1(10)-spirovetiven-2-one

4332231.88

4909082.61

3-[(1S,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z,8Z,11Z)-3-hydroxytetrad...

5989895.84

7111003.20

3,4-Dimethyl-5-pentyl-2-furanpentadecanoic acid

3841501.90

5021197.01

3,5,5-Trimethyl-2-cyclopenten-1-one

3347522.16

3835412.74

3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one

3174460.90

3536719.68

3-Amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-ol

4255492.29

4812850.05

3beta,7alpha-Dihydroxy-5-cholestenoate

2680706.18

2408211.91

3^^-Deamino-3^^-hydroxykanamycin B

3012466.61

2821294.14

3-Hexenal

4553196.36

4788360.39

3-Indoleacetic Acid

3764658.64

3958365.01

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

2502903.30

1992375.16

3-Methylcyclopentene

4734409.18

3376394.46

(3xi,5Z)-1,5-Octadien-3-ol

4497782.35

4255536.27

4-(Aminobutyl)guanidine

4906562.76

5367146.62

4E,8-Nonadienal

5873657.28

7700940.10

4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al

4791038.07

3634589.66

4-Guanidinobutanoate

2670249.18

2694284.40

4-Hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl

4067696.87

4019637.11

4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dih...

4490012.05

3816355.88

4-Hydroxy-L-threonine

2535576.75

3102244.21

4-Hydroxystachydrine

1807786.23

3937773.35

4-Tiglylcarnitine

1940866.44

3298333.65

5-(2-Aminopropyl)benzofuran

4415187.02

4802535.39

5-Formiminotetrahydrofolate

6794398.82

3106576.19

5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one

2802954.32

2097537.45

5-L-Glutamyl-taurine

4291022.57

5178978.16

5-O-[2-(4-Benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dim...

2499313.56

2172438.54

5^-O-Methylmelledonal

15370543.49

1558849.02

6,10-dimethyl-9-methylene-undec-5E-en-2-one

7205964.81

4509199.71

6-Amino-N-[6-keto-6-(6-ketohexylamino)hexyl]hexanamide

3229053.70

2751623.78

6-Benzylaminopurine

6514832.34

9659442.38

(6E,8E)-4,6,8-Megastigmatriene

4912560.48

5766713.38

7,10-Hexadecadiynoic acid

4441711.66

4596490.08

7(14)-Farnesene-9,12-diol

4980507.76

4953808.21

7,8-Diaminononanoate

6005822.76

17114137.31

7-Methylguanine

2815483.85

3122702.59

8-Isoquinoline methanamine (hydrochloride)

4239575.21

4950836.69

8-methoxy-13-hydroxy-9,11-octadecadienoic acid

2468542.76

2080255.95

(8R,9S,13S,14S)-3-Hydroxy-13-methyl-4,6,7,8,9,11,12,14,15,16...

5487052.15

5840042.99

(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate

4896865.41

4979212.75

9Z,11E,13-Tetradecatrienal

4343676.94

4729347.41

Abscisate

3773704.03

4086272.27

Ala-Ala-Ala

2575512.86

2089032.41

alpha-Santalal

3289650.55

3777717.05

Androsterol

6961266.52

7927256.06

Asn Ile Asp Lys

3589216.66

3815753.28

Asparaginylarginine

3138492.52

2743121.42

Asparaginylglycine

3358021.73

4438689.88

Asp-Phe methyl ester

2735755.77

2872637.89

beta-Alanyl-L-lysine

5752532.57

5862219.03

beta-santalol

6080116.41

7890989.36

Biocytin

1855080.20

2767577.26

Blasticidin S

4299947.28

4330803.50

Buparvaquone

4240466.67

4908541.69

C17 Sphinganine

4791247.57

5102463.00

Caffeinol

3838977.38

4128453.92

Calcitriol

6279859.39

7107765.23

Caprylic acid

3601631.25

4764471.74

Carbazole

3786952.10

4582709.47

CDP-DG(16:0/PGF1alpha)

5741183.98

3739167.37

Chembl4238926

5262665.74

4527024.46

Chenodeoxycholic acid sulfate

2453962.54

2717964.35

cis-3-Hexenyl phenylacetate

4197153.59

4929317.04

cis-6,7-epoxy-9Z-heptadecene

4009523.42

4515757.63

cis-Linoleic acid

3800461.14

5211065.16

cis-Methylbixin

10833371.31

8867367.77

cis-p-Menth-2-en-1-ol

4695696.33

6652485.85

cis-Uvariamicin IB

3169731.58

3751525.22

Cohibin C

2842423.48

4223395.71

Coumarin 102

6816097.40

6488450.65

Coumarin 30

4013357.98

4565213.99

Curcumin II

2579127.02

3726789.31

Cyclododecanone

2453642.13

2132457.20

Cyclohexa-2,4-dienylmethanol

3956016.82

3837473.45

Cyclohexane-1-carboxylate

6260452.24

7504446.02

Cyclooctatin

37165232.59

19644726.79

Cyclopentanol

2658429.43

2204070.50

Cys Gly Arg Ser

4012547.40

4350281.76

Dalamid

2839384.08

3644398.70

Deferiprone

2293476.17

4429744.74

Dehydroepiandrosterone sulfate

3493231.05

3592859.32

Deoxycholic acid

5833005.87

5938525.72

Deoxycholic acid 3-glucuronide

3603230.51

5548963.74

Deoxyspergualin

5409110.46

5581762.58

D-erythro-D-galacto-octitol

2902909.43

3723800.74

DG(15:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)

2648219.11

3302286.84

DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)

2101295.73

5845654.14

DG(18:0/18:3(10,12,15)-OH(9)/0:0)

2078000.69

1321782.67

DG(18:2n6/0:0/20:4n3)

5310930.09

5815860.13

DG(18:3(9,11,15)-OH(13)/18:0/0:0)

3601478.27

3323314.85

DG(20:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0)

3690263.89

4271746.64

DG(8:0/15:0/0:0)

4899492.62

5008424.17

DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)

3494582.77

3603776.98

Dihydroceramide

4051140.93

4475258.49

Dihydroclavaminic acid

841760.40

643615.70

Dihydroshikonofuran

6324004.72

7377320.13

Docetaxel anhydrous

4299419.18

4417507.71

D-Urobilinogen

5241344.80

6161944.07

(E)-3-Hexen-1-ol

2800598.04

4235890.46

Ectocarpen

4860435.75

4016876.23

Eicosapentaenoyl Ethanolamide

2921311.94

4017805.03

Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-

1720282.02

6068030.49

Ethyl menthane carboxamide

2808516.62

3088983.46

Evobioside

2172682.01

2043742.88

exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol

4448603.53

4024204.52

Feruloylagmatine

5652455.55

4475713.14

Feruloyldihydro-beta-sitosterol

3460256.93

2124267.65

Fluorohydrocortisone

3728674.29

4947039.30

Formylisoglutamine

2261260.86

4176483.52

Fudosteine

4321905.57

3947397.97

Fuziline

3417248.18

3480586.64

gamma-L-Glutamyl-L-pipecolic acid

1206190.13

392524.82

GDP

3113408.98

2739283.85

Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate

6521572.09

7075374.08

gibberellin A51-catabolite

3906945.20

4224924.15

Gln Gln Cys Gln

5017894.33

6668364.40

Glucitol-lysine

5136887.92

8317895.03

Glutaminylproline

2869327.59

2734969.86

Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[al...

3930722.87

5166627.45

Gramicidin S

3839922.30

2003157.79

Hexadecenoylcarnitine

4829607.63

4181091.86

His Arg His Trp

6646605.41

6760011.09

Humulenol II

6538177.20

24174409.01

Hydroxypelenolide

3159655.27

3409057.55

Hydroxyurea

6286240.08

4440278.06

Irofulven

3573084.69

3572461.27

Isofloxythepin

4216101.53

3963623.10

Isokobusone

4788329.69

10887069.19

iso-pentyl

2334566.47

3541229.98

Ixocarpalactone B

4634782.54

4508424.20

Lersivirine

463496.79

650450.17

Leurubicin

4099500.94

4287917.13

L-Furosine

2847539.91

3856122.17

L-gamma-Glutamyl-(3R)-L-beta-ethynylserine

3432642.37

3858796.10

L-Gulonic ??-lactone

4420604.04

3506025.04

Linoleylanilide

7495222.64

10146605.92

Lithocholate 3-O-glucuronide

4412672.91

5357345.06

L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-

3908343.93

4526346.64

LysoPE(P-18:1(9Z)/0:0)

4405573.70

4251117.24

Mepivacaine

6307895.72

7850136.88

Methionyl-Valine

4862249.31

4015051.42

Methocarbamol

3295735.37

3741833.37

Muricin D

3797687.64

4021510.58

m-Xylene

2872978.23

5622278.39

N1,N5,N10-Tris-trans-p-coumaroylspermine

4162763.36

4164709.55

N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Gly...

4314311.16

4472435.95

N-(3-Hydroxypropyl)valine

3767913.06

4612969.61

N-[4-[Acetyl(3-aminopropyl)amino]butyl]-N-(3-aminopropyl)ace...

3734445.75

4444276.15

N-Acetylsphinganine

4365888.42

3495460.99

N-Desmethyl Topotecan

758532.42

643308.33

N-(Dimethylamino)methylene-9-((2-hydroxy-1-(hydroxymethyl)et...

4247089.29

3845212.16

N-Docosahexaenoyl Glycine

7313432.53

5905202.45

Neoandrographolide

6415794.03

8491108.00

Nifedipine

3768814.00

4313191.92

N-Myristoyl Arginine

4763788.91

5594288.31

N-Myristoyl Glutamic acid

4168502.11

4203155.95

N-Myristoyl Glutamine

6734827.91

9922629.60

Norecasantalol

3408073.38

4288665.87

N-Palmitoyl Isoleucine

4946419.41

5686924.01

N-Stearoyl Cysteine

3917017.76

4277515.98

Octadecanedioic acid

8384207.48

20661338.32

PA(10:0/PGF1alpha)

2219656.81

6687821.75

PA(21:0/20:3(8Z,11Z,14Z)-2OH(5,6))

6260479.46

21646099.69

Palmitic amide

4291636.29

3891797.98

Pantoyllactone glucoside

4565217.98

4250035.14

Parasorbic acid

3566214.94

3685843.53

Partricin A

3089217.35

3972100.21

PC(18:1(12Z)-2OH(9,10)/P-18:1(11Z))

3974196.91

3736540.42

PC(22:3(10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

3041119.80

3298201.44

PE(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

6439740.13

6771826.52

Pectenotoxin 2

5081247.79

6301806.46

Perilloside B

4484123.75

4252386.48

Pheophorbide a

4531246.32

4598804.75

Pirfenidone

3684825.38

11073892.50

Pirmagrel

3956367.61

4673631.98

PM-Toxin A

3202240.34

2759293.77

Pregnanediol

5866130.43

6043160.69

PS(14:0/24:1(15Z))

4031425.38

3999164.16

PS(18:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

4134583.41

4495606.81

PS(PGJ2/22:0)

3153777.39

3292284.36

Quercetin 3-O-diglucoside

3680227.66

3540246.75

(R)-3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one

5482022.08

4723297.53

(R)-5-Diphosphomevalonate

3920988.14

4943086.98

Retinoic acid

3363706.40

3986022.72

Rhizocticin A

4314075.05

4473813.04

(R)-Lipoate

4558147.70

6134098.08

Sabinene hydrate

4135422.42

3726702.97

Sambutoxin

3893984.72

4537387.60

Sapidolide A

4140857.25

4655389.92

Serylvalylglycylglutamic acid

2592747.84

4103773.81

Shikimate 3-phosphate

7611362.96

9701727.96

SM(d18:0/18:1(9Z)-O(12,13))

2783630.18

4480284.49

SM(d18:1/LTE4)

6551250.88

19226232.99

SM(d18:2(4E,14Z)/6 keto-PGF1alpha)

3926552.90

3708725.25

Sorgolactone

4046261.27

4640315.33

(S)-(-)-Perillyl alcohol

3636787.01

3766477.71

Squamostanal A

2780482.44

3933326.65

Tabtoxinine-delta-lactam

23747379.80

7313766.73

Tanshinone IIA

1655055.69

1652450.85

Tecostanine

3745786.92

3866139.75

trans-Cinnamic acid

6134653.31

6247078.65

(????)-trans-Nerolidol

893153.09

1254312.97

Trimethylolpropane trimethacrylate

4999879.63

4964407.68

Undecane

3862106.68

5149678.23

Validone 7-phosphate

5292974.89

5510719.85

Vinaginsenoside R12

2165412.95

3827352.73

Vitamin D2

3995038.02

3858622.30

xi-5-Hydroxydodecanoic acid

3132220.46

4257808.25

(??)-(Z)-2-(5-Tetradecenyl)cyclobutanone

9914248.82

9618732.17

Data for ST003877

Factors:

F1	Rat type:GF
F2	Rat type:SPF