Clustering data with hclust algorithm for (Study ST000292)

(Analysis AN000466)
MetaboliteStructureF1F2F3
GlycyrrhetinateME1071830.333.210.10
L-Leucine_2ME1072750.022.950.03
S-Allyl-L-cysteine_5ME1074960.161.970.76
L-2,3-DihydrodipicolinateME1072370.032.450.40
DaimuronME1070690.502.320.18
3,4-Dihydroxymandelate_1ME1067830.332.320.30
BeclomethasoneME1069700.482.240.28
HomogentisateME1071950.402.240.32
4a-HydroxytetrahydrobiopterinME1068270.522.020.43
L-Methionine S-oxide_2ME1072790.701.970.32
Thiomorpholine 3-carboxylate_2ME1075370.702.000.31
AmpicillinME1069482.000.00NA
MurrayanineME1073291.810.000.37
Apoatropine_1ME1069551.570.030.18
HetacillinME1071901.500.00NA
1-Dehydro-9-fluoro-11-oxotestololactoneME1067152.080.220.65
11-Methoxy-vinorineME1067072.200.250.55
Sinapyl alcoholME1075032.250.220.53
ArbutinME1069592.250.230.40
CarpacinME1070082.360.170.47
MetforminME1073102.440.080.97
FluoreneME1071552.370.010.62
N-CyclopropylammelineME1073762.300.000.76
SerotoninME1075012.650.010.46
3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amineME1067912.510.000.45
FenpropathrinME1071482.520.100.39
N-AcetylputrescineME1073662.520.040.03
6-HydroxypseudooxynicotineME1069092.440.040.04
Apoatropine_2ME1069562.430.000.09
DiphenhydramineME1071122.810.000.02
N-(Acetyloxy)benzenamine_2ME1073342.730.050.22
5-(2-Hydroxyethyl)-4-methylthiazole_1ME1068650.000.031.79
(E)-4-(Trimethylammonio)but-2-enoate_5ME1066860.060.192.74
Suberic acid_2ME1075130.070.072.86
5-(2-Hydroxyethyl)-4-methylthiazole_2ME1068660.040.432.36
QUINATE_1ME1074840.180.282.54
Homostachydrine_5ME1072000.200.352.46
QUINATE_2ME1074850.250.302.45
5-Ureido-4-imidazole carboxylateME1069010.370.422.21
Crotanecine_2ME1070450.410.332.25
Toluene-cis-dihydrodiol_2ME1075430.220.442.35
HippurateME1071920.340.382.29
4,8-Dihydroxyquinoline_2ME1068210.280.352.37
Indole_3ME1072100.300.352.35
Androsterone glucuronideME1069500.771.370.09
5-Hydroxy-L-tryptophan_4ME1068950.951.11NA
DistigmineME1071131.040.98NA
DebrisoquinME1070721.731.290.02
EmedastineME1071272.100.830.62
CalcitriolME1069991.830.880.30
Rehmaionoside CME1074861.840.950.28
CarbamorphME1070071.731.000.36
L-AsparagineME1072471.680.920.40
21,22-Diprenylpaxilline_1ME1067371.420.760.82
Montanin AME1073271.380.790.82
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2ME1067961.490.750.76
p-CumateME1074411.520.690.79
(8Z,11Z,14Z)-Icosatrienoic acidME1066751.510.630.86
Isobutyronitrile_3ME1072251.470.640.88
Coniferyl alcohol_2ME1070351.410.720.87
2-Amino-9,10-epoxy-8-oxodecanoic acid_2ME1067421.460.670.87
Diethyl sulfateME1070941.430.680.86
2-Amino-9,10-epoxy-8-oxodecanoic acid_1ME1067411.430.840.73
PrenolME1074711.410.880.71
5-Acetamidopentanoate_7ME1068781.440.890.67
L-2-Aminoadipate_1ME1072391.430.940.63
2^-Dehydrokanamycin AME1067471.471.120.57
Sodium ortho-phenylphenateME1075041.460.990.55
Terpendole GME1075341.870.660.47
N-(Acetyloxy)benzenamine_1ME1073332.060.400.54
D-Octopine_1ME1071171.980.490.53
O-Butanoylcarnitine_2ME1074172.000.520.51
(9Z)-Hexadecenoic acid_2ME1066771.710.490.80
OleoylethanolamideME1074211.700.520.78
O-Propanoylcarnitine_2ME1074231.720.610.68
5beta-Scymnol sulfateME1068851.800.620.67
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2ME1075321.810.580.62
p-BenzosemiquinoneME1074401.870.160.91
O-Propanoylcarnitine_3ME1074241.870.350.71
BombykalME1069881.940.390.67
CilastatinME1070191.930.360.70
alpha-TocopherolME1069451.750.320.92
FurathiocarbME1071581.840.390.77
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trioneME1069191.820.350.83
CyphenothrinME1070631.810.330.87
CarbamazepineME1070061.17NA0.91
TransfluthrinME1075511.15NA0.56
LophocerineME1072811.720.221.37
3-(2-Hydroxyphenyl)propanoate_2ME1067731.400.161.43
Bis(2-chloroethyl)ether_2ME1069871.350.351.30
Indole-3-acetaldehyde_2ME1072131.380.291.33
Nalidixic acid_5ME1073711.030.501.47
Stovaine_2ME1075101.210.271.51
D-Alanyl-D-alanine_1ME1070701.140.371.53
L-GlutamateME1072601.150.411.44
3-AminopropanesulfonateME1067900.600.611.78
D-Lysopine_3ME1071160.670.721.69
Toluene-cis-dihydrodiol_3ME1075440.470.611.92
5-Aminolevulinate_3ME1068810.460.731.81
Calystegin B2_4ME1070050.430.791.77
ShikimateME1075020.311.061.68
Cytosine_2ME1070660.431.001.57
4-ChloroacetanilideME1068350.460.851.65
CYTIDINEME1070640.430.921.64
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_2ME1070920.440.931.69
D-GlucosamineME1070840.570.871.57
(-)-Glyceollin IME1066490.560.901.54
NICOTINATEME1073900.580.921.51
PYRIDOXINEME1074830.590.901.51
3-METHYLADENINEME1068040.540.801.65
Stovaine_1ME1075090.630.781.57
Bergaptol_2ME1069770.670.262.03
7-DehydrodesmosterolME1069120.570.412.02
(-)-Jasmonic acidME1066500.680.391.94
2-Furoate_2ME1067530.780.701.52
CortisoneME1070380.750.691.55
ApraclonidineME1069570.840.401.46
2,6-Diamino-7-hydroxy-azelaic acidME1067360.910.421.67
N-AcetylmethionineME1073600.960.421.66
Cycasin_1ME1070520.840.561.64
MetipranololME1073250.800.461.76
NebularineME1073770.661.230.86
4-Hydroxybutanoic acid_2ME1068480.651.510.84
Castanospermine_3ME1070110.711.450.84
N-Methylpelletierine_1ME1074040.711.440.86
3,4-Dihydroxymandelate_2ME1067840.831.450.66
CorticosteroneME1070360.801.500.70
N-Isopropylammelide_3ME1073940.861.380.76
Homostachydrine_4ME1071990.921.370.71
Glycerone_1ME1071700.901.350.75
Tussilagine_3ME1075600.931.340.73
Cycloheptanecarboxylic acid_2ME1070550.801.400.80
CinnamaldehydeME1070200.821.350.83
L-Leucine_1ME1072740.831.330.84
Hydrocortisone succinateME1072010.861.650.55
Thiomorpholine 3-carboxylate_3ME1075380.991.570.25
8-HydroxyalanylclavamME1069161.381.290.37
D-SORBITOLME1071221.071.370.57
Mannitol_2ME1073051.101.390.50
5-HydroxyindoleacetylglycineME1068890.471.291.24
D-Octopine_2ME1071180.451.331.16
4-GUANIDINOBUTANOATEME1068420.721.101.17
ADENINEME1069290.741.091.17
AdenineME1069300.761.061.18
Nalidixic acid_1ME1073670.761.041.20
4-Methylene-L-glutamateME1068550.701.161.15
p-Benzoquinone_2ME1074390.761.161.09
4-MaleylacetoacetateME1068530.741.151.11
MethylguanidineME1073210.721.141.12
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1ME1067950.641.191.17
(S)-ATPA_2ME1066930.581.221.19
2-Hydroxy-2,4-pentadienoate_2ME1067560.761.211.03
RishitinME1074890.801.191.02
UreidoacrylateME1075660.721.271.01
GlycocholateME1071750.691.251.06
2,2-Dimethyl-8-prenylchromene 6-carboxylic acidME1067280.681.281.03
2-HydroxypyridineME1067630.661.291.05
Glycodeoxycholate_1ME1071760.631.261.12
3-Methyl-2-oxobutanoic acid_2ME1068030.681.231.09
PorphobilinogenME1074680.691.211.11
N-Methylpelletierine_2ME1074050.501.161.34
6-MethylmercaptopurineME1069110.491.131.39
3,4-DihydroxyphthalateME1067850.491.101.41
SUCROSEME1075210.491.101.41
PhenacetinME1074470.581.061.36
Fexofenadine_4ME1071530.601.071.34
L-Lysine 1,6-lactamME1072760.621.061.32
2^-DEOXYGUANOSINEME1067480.721.041.24
Catechol_2ME1070130.671.061.27
cis-AconitateME1070290.661.061.28
TaurocyamineME1075300.671.141.28
Tussilagine_2ME1075590.671.121.20
FurmecycloxME1071621.150.551.34
1,4^-Bipiperidine-1^-carboxylic acid_3ME1067031.080.681.24
Glycyl-leucine_2ME1071791.080.671.25
L-OctanoylcarnitineME1072801.060.641.30
O-Decanoyl-L-carnitineME1074201.100.641.26
FeruloylputrescineME1071491.100.621.28
MannopineME1073061.090.621.29
3-(Dimethylamino)propyl benzoate_2ME1067750.980.611.40
Tabtoxinine-beta-lactam_1ME1075261.030.631.33
Methyl 2-diazoacetamidohexonate_1ME1073121.020.621.36
Tabtoxinine-beta-lactam_3ME1075281.040.611.35
4-HexyloxyphenolME1068430.850.791.37
3-Isopropylcatechol_2ME1068000.820.751.43
N2-Acetyl-L-aminoadipateME1073400.850.751.40
14-DihydroxycornestinME1067080.960.701.34
Cyclohexane-1,3-dione_2ME1070580.950.681.37
EtomidateME1071400.910.681.40
Fexofenadine_2ME1071510.880.721.40
D-Alanyl-D-alanine_2ME1070710.900.841.26
delta-Guanidinovaleric acid_2ME1070790.900.821.27
Aromatic aldehyde_5ME1069650.930.831.25
DimethylenetriureaME1071100.930.801.26
Ethyl cinnamateME1071360.930.801.27
5^-MethylthioadenosineME1068960.920.711.25
Phenyl acetateME1074510.920.771.31
GLYCEROLME1071680.960.771.27
PropanoateME1074730.950.771.29
2-Aminophenol_2ME1067460.990.731.28
N-Cyclohexylformamide_3ME1073750.990.731.28
GlycerolME1071690.970.741.29
5-Aminolevulinate_2ME1068800.970.731.30
(9Z)-Octadecenoic acidME1066790.960.741.30
L-Albizziine_2ME1072431.040.741.22
L-Tyrosine_2ME1072961.040.761.21
L-2,4-DiaminobutanoateME1072381.040.711.25
21,22-Diprenylpaxilline_2ME1067381.080.711.21
Nalidixic acid_3ME1073691.060.721.22
Otonecine_2ME1074291.030.781.19
Piperidione_3ME1074641.030.781.18
Glycyl-leucine_3ME1071801.050.791.16
Tabtoxinine-beta-lactam_2ME1075271.030.811.16
beta-Carboline_3ME1069810.970.821.21
p-XyleneME1074780.980.831.19
DikegulacME1071050.990.801.21
(-)-Limonene_1ME1066510.990.781.23
Dehydroalanine_4ME1070770.811.011.18
Paramethadione_1ME1074340.851.001.15
N-Acetylornithine_4ME1073640.831.001.16
Piperidione_1ME1074620.831.001.17
O-Butanoylcarnitine_1ME1074160.890.941.17
S-Allyl-L-cysteine_2ME1074930.890.951.16
Linamarin_1ME1072670.871.001.13
N-Acetyl-L-leucine_1ME1073540.871.001.13
N-Acetyl-L-leucine_3ME1073560.870.981.15
L-ALLOTHREONINEME1072440.880.981.14
3-Methylguanine_1ME1068090.890.971.14
L-Pipecolate_4ME1072870.890.971.14
URACILME1075640.780.991.22
Penitrem D_2ME1074440.780.991.24
Crotanecine_1ME1070440.770.991.23
Diethyl 2-methyl-3-oxosuccinateME1070930.761.001.23
5-Hydroxy-L-tryptophan_1ME1068920.870.911.23
IsovalerylcarnitineME1072330.860.911.24
Vanillyl alcoholME1075710.830.971.20
Trimethylamine N-oxideME1075540.820.921.25
alpha,beta-DidehydrotryptophanME1069350.840.941.22
PhosphoagmatineME1074550.840.951.24
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidineME1073830.810.961.23
N-Nitrosopiperidine_2ME1074090.810.971.22
5,6-DihydrouracilME1068710.800.961.25
3-Methyleneoxindole_3ME1068080.820.951.24
8-Amino-7-oxononanoate_3ME1069150.810.941.25
EDTAME1071260.770.811.25
Nalidixic acid_4ME1073700.840.841.32
MetaxaloneME1073090.620.941.43
Glycyl-leucine_5ME1071820.690.931.38
N-ACETYLPUTRESCINEME1073650.670.911.42
Indospicine_2ME1072210.750.851.39
2,5-FurandicarboxylateME1067350.710.871.40
THYMINEME1075400.730.851.42
CITRATEME1070300.750.941.32
Glycyl-leucine_4ME1071810.750.881.37
N-Acetyl-D-tryptophanME1073480.770.891.34
N-Acetyl-L-phenylalanineME1073590.760.891.35
DigallateME1070981.241.070.79
RetronecineME1074871.221.030.76
alpha-Oxo-benzeneacetic acidME1069401.161.050.80
cis-2-Carboxycyclohexyl-acetic acid_1ME1070271.131.050.82
N-Methyl-2-pyrrolidinone_1ME1073971.171.080.75
S-Allyl-L-cysteine_4ME1074951.111.070.72
DeoxycytidineME1070811.111.210.68
1,4^-Bipiperidine-1^-carboxylic acid_2ME1067021.121.110.77
Estradiol-17beta 3-sulfateME1071301.081.110.81
Mandelonitrile_2ME1073031.071.110.83
3-(Dimethylamino)propyl benzoate_3ME1067761.081.140.79
Urocanate_1ME1075691.081.150.77
Sodium sulfateME1075051.051.190.76
Methyl acetyl ricinoleateME1073151.041.140.82
Prenyl caffeateME1074721.041.140.82
4-Dodecylphenol_2ME1068371.021.170.81
S-Allyl-L-cysteine_1ME1074921.021.180.80
Glutarate_2ME1071651.011.160.83
StyreneME1075111.001.170.84
2,5-DioxopentanoateME1067340.900.891.21
Indole-3-acetate_2ME1072160.910.891.20
BilirubinME1069850.950.851.20
Sebacic acid_3ME1075000.950.861.20
5-Hydroxy-L-tryptophan_3ME1068940.930.861.21
PseudopelletierineME1074760.920.871.22
5-Acetamidopentanoate_5ME1068761.010.851.14
FasoracetamME1071461.020.841.13
N-Cyclohexylformamide_2ME1073740.990.841.16
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridineME1067570.990.861.15
L-Histidinol_1ME1072640.990.871.14
N-Methyl-2-pyrrolidinone_4ME1074001.000.871.14
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2ME1067880.930.901.17
4-Oxoproline_2ME1068600.920.901.17
2,3-Dimethylmaleate_2ME1067310.930.911.16
Coumarin_2ME1070400.940.901.16
Allophanic acid methyl esterME1069340.960.881.16
PirbuterolME1074660.950.881.16
Piperidione_4ME1074650.960.891.15
Coniferyl alcohol_1ME1070340.970.891.14
2-Ethylhexyl phthalate_3ME1067510.970.881.15
Apiole_1ME1069530.970.881.15
cis-1,2-Dihydro-3-ethylcatechol_2ME1070220.970.911.12
PrekinamycinME1074700.980.891.13
3-Methyleneoxindole_1ME1068061.080.841.07
Paramethadione_2ME1074351.070.851.08
RipazepamME1074881.060.831.11
5-Hydroxyisourate_2ME1068911.070.841.09
N-Nitrosoguvacoline_1ME1074061.070.831.10
Ethosuximide_5ME1071351.010.891.10
Methylimidazoleacetic acid_2ME1073231.010.881.11
5,6-Dihydrothymine_3ME1068691.030.871.10
Fagomine_3ME1071441.020.861.12
Aromatic aldehyde_4ME1069641.030.861.11
Diisopropyl phthalate_1ME1071031.030.861.12
L-Tryptophan_2ME1072941.030.891.07
FenoldopamME1071471.040.881.08
Glycodeoxycholate_2ME1071771.030.891.09
BurseranME1069971.060.871.07
Chrysoidine free baseME1070171.050.871.08
Callytriol CME1070011.050.851.10
EctoineME1071251.050.861.09
ALLANTOINME1069330.940.931.13
Aromatic aldehyde_3ME1069630.950.921.13
Homostachydrine_2ME1071970.920.951.12
Isoquinoline_6ME1072310.920.941.13
(3S,5S)-Carbapenam-3-carboxylic acidME1066670.950.941.11
cis-1,2-Dihydro-3-ethylcatechol_1ME1070210.940.951.12
Toluene-cis-dihydrodiol_1ME1075420.930.961.11
Pyridoxamine_1ME1074811.020.941.05
1-MethyladenosineME1067171.010.941.05
MethaphenileneME1073111.010.941.05
5-Valerolactone_2ME1069031.000.951.05
2-Hydroxycyclohexan-1-one_2ME1067590.990.941.06
beta-Carboline_4ME1069821.000.941.06
Cytosine_1ME1070651.000.941.06
4-PyridoxateME1068611.000.931.08
(-)-Sympatol_1ME1066570.990.931.08
CeruleninME1070151.010.921.07
Isoquinoline_5ME1072301.020.911.07
5-Aminolevulinate_1ME1068790.980.921.10
L-Pipecolate_2ME1072850.980.921.10
Furfural diethyl acetal_2ME1071600.970.941.09
HypaphorineME1072020.970.931.10
Janthitrem C_1ME1072350.970.951.08
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1ME1066880.980.951.07
N-PhosphohypotaurocyamineME1074120.980.951.07
3-Methylguanine_2ME1068100.980.951.07
Indole-3-acetate_1ME1072150.980.951.07
Isoquinoline_3ME1072280.970.971.07
O-Propanoylcarnitine_1ME1074220.960.961.08
CITRULLINEME1070311.170.910.92
GymnodimineME1071881.190.900.91
Dimethachlor_1ME1071071.160.880.96
Dehydroalanine_2ME1070751.150.900.94
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1ME1066801.160.890.95
(3-Arylcarbonyl)-alanineME1066661.150.900.95
4-Methylene-L-glutamine_1ME1068561.160.900.95
NetilmicinME1073811.140.940.92
O-Ureido-L-serineME1074301.150.920.94
Succinate_2ME1075171.150.920.92
Ethosuximide_2ME1071321.110.920.97
Cyclohexane-1,3-dione_3ME1070591.110.920.98
4-Acetamidobutanoate_3ME1068241.110.910.98
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3ME1066711.110.910.98
5-Acetamidopentanoate_2ME1068731.130.900.97
(9Z)-Hexadecenoic acid_1ME1066761.120.910.97
10,16-Dihydroxyhexadecanoic acidME1067041.120.920.95
Acetone cyanohydrin_1ME1069241.120.920.96
Castanospermine_2ME1070101.110.930.96
N-Acetyl-L-leucine_5ME1073581.100.930.97
Indan-1-olME1072071.090.950.96
Octanoic acidME1074181.100.950.95
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1ME1067771.100.980.92
AnthranilateME1069521.120.950.94
ZAPAME1075771.120.960.92
3-Oxo-5beta-cholanate_2ME1068131.111.020.87
N-Heptanoylhomoserine lactoneME1073861.101.000.90
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2ME1066811.101.000.89
Istamycin C1ME1072341.111.000.89
Tris(butoxyethyl)phosphateME1075551.111.000.89
TropinoneME1075561.081.030.90
(E)-4-(Trimethylammonio)but-2-enoate_4ME1066851.071.060.87
HYPOXANTHINEME1072031.071.050.88
Dimethachlor_2ME1071081.161.020.87
Diisopropyl phthalate_2ME1071041.160.970.87
1^-Acetoxychavicol acetateME1067101.150.950.90
Fexofenadine_3ME1071521.160.950.89
FlumethasoneME1071540.991.070.87
Methyl 2-diazoacetamidohexonate_3ME1073141.031.090.88
(10S)-Juvenile hormone III diolME1066651.041.080.88
delta-Guanidinovaleric acid_1ME1070781.041.070.89
Diethylthiophosphoric acidME1070971.001.100.91
Nitrofurazone_2ME1073960.991.090.92
GlycineME1071741.001.070.92
cis-1,2-Dihydronaphthalene-1,2-diol_1ME1070231.011.070.92
cis-2-Carboxycyclohexyl-acetic acid_2ME1070281.011.070.92
OrcinolME1074261.011.090.90
PyridostigmineME1074791.011.080.91
Benzyl nicotinateME1069751.020.990.92
2-AminomuconateME1067431.051.040.91
L-Aspartate 4-semialdehyde_1ME1072491.051.040.91
9-Oxononanoic acidME1069201.041.040.92
Diethylene glycol_1ME1070951.041.050.92
Isoquinoline_4ME1072291.041.060.90
(+)-Camphor_3ME1066611.021.060.91
D-Glucose_1ME1070851.031.060.91
L-AspartateME1072481.031.060.91
3-(Dimethylamino)propyl benzoate_1ME1067741.031.020.95
4-Carboxy-4-hydroxy-2-oxoadipateME1068341.041.020.95
2-Aminomuconate semialdehydeME1067441.011.030.96
Ancitabin hydrochlorideME1069491.021.030.95
Succinimide_1ME1075191.021.030.95
L-ASPARAGINEME1072461.021.050.93
N-ACETYLGLYCINEME1073491.021.050.93
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1ME1066691.011.050.93
L-MethionineME1072771.011.050.94
CreatineME1070421.031.040.93
Nitrofurazone_1ME1073951.031.040.93
DinotefuranME1071111.031.030.94
Methylimidazoleacetic acid_1ME1073221.031.030.94
OrnalineME1074271.080.920.99
ALPHA-AMINOADIPATEME1069361.090.930.99
beta-Carboline_1ME1069791.080.930.99
(E)-4-(Trimethylammonio)but-2-enoate_3ME1066841.080.930.99
(-)-ColumbianetinME1066481.090.940.98
epsilon-Caprolactam_2ME1071291.090.940.97
N5-Phenyl-L-glutamine_1ME1073411.080.940.98
Acetone cyanohydrin_3ME1069261.070.950.98
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2ME1066891.070.940.98
Apiole_2ME1069541.060.950.99
Methyleugenol_1ME1073171.060.940.99
CortisolME1070371.060.941.00
MaleamateME1073011.060.941.00
L-Pipecolate_1ME1072841.060.931.01
Phendimetrazine_1ME1074481.060.941.01
Ethosuximide_1ME1071311.060.921.02
2-Oxobutanoate_2ME1067671.050.931.02
Isoquinoline_2ME1072271.060.931.02
METHYL INDOLE-3-ACETATEME1073161.080.911.01
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholineME1067201.070.921.01
2-Hydroxy-1,4-benzoquinoneME1067541.070.931.00
5-Oxoavermectin ^^1a^^ aglyconeME1068991.030.931.04
Piperidine_1ME1074601.030.941.03
N6-(delta2-Isopentenyl)-adenineME1073431.060.901.04
Benzofuran_1ME1069721.060.901.05
L-CYSTEIC ACIDME1072541.060.891.05
4-Acetamidobutanoate_2ME1068231.040.901.05
4-Hydroxy-2-butynal_2ME1068451.050.911.04
3-Oxo-5beta-cholanate_1ME1068121.040.921.04
C20913ME1069981.040.921.04
Buddledin A_2ME1069941.050.990.96
Succinimide_2ME1075201.050.990.96
3-Butylidene-7-hydroxyphthalideME1067931.060.990.95
CidofovirME1070181.060.990.96
3-(2-Hydroxyphenyl)propanoate_1ME1067721.060.980.96
(-)-Menthyl acetate_3ME1066561.060.980.96
N-Isopropylammelide_1ME1073921.080.970.95
AniflorineME1069511.070.970.96
Acetone cyanohydrin_2ME1069251.070.980.95
cis-2,3-Dihydroxy-2,3-dihydro-p-cumateME1070261.070.980.96
PhenmetrazineME1074501.061.000.93
N-Formimino-L-glutamateME1073821.080.990.93
N-Methyl-2-pyrrolidinone_2ME1073981.080.980.94
gamma-ConiceineME1071631.040.990.97
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2ME1066701.041.010.96
Tyramine_2ME1075621.041.000.96
1-Pyrroline-2-carboxylate_3ME1067241.041.000.96
(-)-Sympatol_2ME1066581.041.000.96
Bakkenolide AME1069681.031.000.97
NicotinamideME1073891.031.000.97
alpha-Sinensal_1ME1069411.031.000.98
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1ME1067871.021.000.98
Homostachydrine_3ME1071981.021.000.98
N-ACETYL-L-ALANINEME1073521.020.990.99
GlutathioneME1071671.020.990.99
(-)-Menthyl acetate_1ME1066541.020.990.99
PhthalateME1074571.030.990.98
BetamethasoneME1069841.040.980.98
2-Ethylhexyl phthalate_2ME1067501.030.980.99
3-Oxododecanoic acid_1ME1068141.030.980.98
Botrydial_2ME1069921.030.951.01
Tos-Lys-CH2ClME1075471.030.961.01
9,12,13-TriHOME_2ME1069181.030.961.01
Buddledin A_1ME1069931.030.961.01
8-Amino-7-oxononanoate_2ME1069141.040.951.00
alpha-Sinensal_4ME1069441.040.951.01
Calystegin B2_2ME1070031.040.961.00
L-Tryptophan_1ME1072931.040.961.01
DeethylatrazineME1070731.030.961.00
Phytuberin_2ME1074591.030.971.00
Phytuberin_1ME1074581.030.971.00
Buddledin A_3ME1069951.030.971.00
NicotyrineME1073911.030.971.00
Cucurbic acid_1ME1070461.020.971.01
FumarateME1071571.030.981.00
Tolylacetonitrile_1ME1075451.020.981.00
Botrydial_1ME1069911.020.981.00
2,5-Dichloro-4-oxohex-2-enedioateME1067331.020.981.00
alpha-Sinensal_3ME1069431.020.981.00
cis-1,2-Dihydronaphthalene-1,2-diol_2ME1070241.070.960.97
ZingeroneME1075791.070.960.97
Sulcatone_1ME1075221.040.960.99
NICOTINAMIDEME1073881.050.970.99
1,3,8-NaphthalenertriolME1066991.040.970.99
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetateME1067271.040.970.99
3-tert-Butyl-5-methylcatecholME1068181.060.960.98
4-AminobiphenylME1068301.060.960.98
N-EthylglycocyamineME1073791.050.960.98
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoateME1066871.050.970.98
CMN 131ME1070321.050.970.98
3-Isopropylcatechol_1ME1067991.050.970.98
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphtholME1066631.050.970.98
ThymineME1075390.961.001.04
Aromatic aldehyde_2ME1069620.970.991.04
2-(Biaryl)carbapenemsME1067250.971.001.04
1-Pyrroline-2-carboxylate_2ME1067230.971.001.03
Indospicine_1ME1072200.971.001.03
L-SERINEME1072910.990.981.03
PentachloroethaneME1074450.980.991.03
Benzyl alcoholME1069740.980.991.03
17beta-Methylestra-1,3,5(10)-trien-3-olME1067090.980.991.03
5-HydroxyindoleacetateME1068880.980.991.03
Traumatic acidME1075520.980.981.04
Cucurbic acid_3ME1070480.980.981.04
1-Pyrroline-2-carboxylate_1ME1067220.980.981.04
4-Fluorocyclohexadiene-cis,cis-1,2-diolME1068380.980.981.04
Bergaptol_1ME1069760.980.971.05
N-Acetylimidazole_2ME1073510.990.971.04
5-Acetamidopentanoate_1ME1068720.990.961.04
L-PhenylalanineME1072831.000.961.04
trans-Cinnamate_1ME1075481.000.961.04
N-Acetylornithine_1ME1073611.020.951.03
Piperidine_2ME1074611.020.951.03
6-endo-Hydroxycineole_2ME1069071.010.961.03
Uridine_2ME1075681.010.961.03
N-Trimethyl-2-aminoethylphosphonate_1ME1074131.020.961.02
L-ISOLEUCINEME1072721.020.961.02
9,12,13-TriHOME_1ME1069171.020.961.02
LEUCINEME1072551.020.961.02
L-KynurenineME1072731.000.971.03
Sebacic acid_2ME1074991.000.971.03
PhenylpyruvateME1074541.000.981.02
L-Tyrosine_1ME1072951.010.981.02
N-Nitrosoguvacoline_2ME1074071.010.971.02
4-Aminobutyraldehyde_1ME1068321.010.971.02
HercynineME1071891.010.971.02
Fagomine_2ME1071430.951.041.01
GUANIDINOACETATEME1071850.961.041.00
epsilon-Caprolactam_1ME1071280.981.030.99
Piperidione_2ME1074630.971.031.01
CREATININEME1070430.971.031.00
Succinate_1ME1075160.971.031.00
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranoseME1067320.961.031.02
5,6-Dihydrothymine_1ME1068670.951.031.02
BETAINEME1069830.951.031.02
Azelaic acidME1069670.961.021.02
(10S)-Juvenile hormone III acid diolME1066640.951.021.03
WarfarinME1075720.961.021.03
3-Buten-1-amineME1067920.961.011.02
5-AMINOPENTANOATEME1068840.971.011.02
L-GLUTAMINEME1072610.971.021.01
Boschnialactone_2ME1069900.971.021.01
11H-Benz[bc]aceanthryleneME1067060.971.021.01
4-Oxoproline_1ME1068590.971.021.01
4-IMIDAZOLEACETIC ACIDME1068510.971.011.01
L-Albizziine_1ME1072420.971.011.01
5-exo-Hydroxy-1,2-campholideME1068860.981.011.02
2-Phenylacetamide_1ME1067700.981.011.01
5-Acetamidopentanoate_3ME1068740.981.011.01
Penitrem D_1ME1074430.990.991.02
Cyclohexane-1,3-dione_1ME1070570.991.001.01
BenzoateME1069711.000.991.01
L-RhamnoseME1072900.990.991.01
SulfamethazineME1075251.010.991.00
Coumarin_1ME1070391.010.991.00
5,6-Dihydrothymine_2ME1068681.010.991.00
1-AMINOCYCLOPROPANE-1-CARBOXYLATEME1067131.010.991.00
3,4-MethylenedioxymethamphetamineME1067861.010.991.00
Trp-P-1ME1075571.010.991.01
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanoneME1067941.010.991.01
Sulcatone_2ME1075231.010.991.01
Indole_1ME1072081.010.981.00
2-Naphthylamine_2ME1067651.010.981.01
Tyramine_1ME1075611.010.981.01
6-DEOXY-L-GALACTOSEME1069050.991.001.00
Ethosuximide_4ME1071341.001.001.00
2-Hydroxycyclohexan-1-one_1ME1067581.001.001.00
DodecanamideME1071191.001.001.00
HexylamineME1071911.011.001.00
Tussilagine_1ME1075581.011.000.99
1-Octanal_1ME1067180.991.010.99
ChloromethiuronME1070160.991.010.99
4-Vinylcyclohexene_1ME1068620.991.011.00
N(PAI)-METHYL-L-HISTIDINEME1073350.991.011.00
6-endo-Hydroxycineole_1ME1069060.991.021.00
L-Methionine S-oxide_1ME1072780.981.021.00
OctylamineME1074191.011.010.99
S-Allyl-L-cysteine_3ME1074941.001.010.99
Isoquinoline_1ME1072261.001.010.99
L-ARGININEME1072451.001.010.99
L-HISTIDINEME1072621.001.020.98
XanthanME1075741.001.020.98
1-Octanal_2ME1067191.001.020.99
Indole-3-acetaldehyde_1ME1072121.001.020.99
trans-Cinnamate_2ME1075490.991.020.99
Austrobailignan 1ME1069660.991.020.99
Methylimidazoleacetic acid_3ME1073240.991.020.99
CyclohexanoneME1070601.001.030.97
TremetoneME1075531.011.020.97
DodemorphME1071201.011.020.97
(-)-Menthyl acetate_2ME1066551.011.020.97
Levetiracetam_3ME1072581.021.010.98
2-Ethylhexyl phthalate_1ME1067491.011.010.98
Precocene IIME1074691.011.010.98
Cucurbic acid_2ME1070471.021.010.97
Suberic acid_1ME1075121.011.010.97
2-Aceto-2-hydroxybutanoateME1067390.811.230.96
Otonecine_1ME1074280.811.250.94
SARCOSINEME1074970.861.240.90
5-Valerolactone_3ME1069040.851.230.92
CREATINEME1070410.861.230.91
4-HYDROXY-L-PHENYLGLYCINEME1068490.831.280.89
4-HydroxyphenylacetateME1068500.861.270.87
Paramethadione_4ME1074370.851.260.88
3-(Imidazol-4-yl)-2-oxopropyl phosphate_2ME1067780.951.180.87
Nonane-4,6-dioneME1074110.951.160.89
1,3-Dichloro-2-propanolME1067000.951.160.89
CCCPME1070140.951.160.89
Saccharin sodium anhydrous_2ME1074910.981.120.89
4-Fluoro-L-threonineME1068390.981.160.88
PyridoxalME1074800.981.140.88
Dimethylcarbamoyl chlorideME1071090.891.210.90
TRANS-CINNAMATEME1075500.901.210.89
dUMPME1071230.921.210.87
Sulfacetamide sodium anhydrousME1075240.931.180.89
Saccharin sodium anhydrous_1ME1074900.911.200.89
N-FORMYLGLYCINEME1073840.921.200.88
3-OxalomalateME1068110.921.190.89
Glycidyl oleateME1071720.921.190.88
N1-AcetylspermidineME1073380.921.170.91
3-OxohexobarbitalME1068160.901.170.93
Urocanate_2ME1075700.901.180.92
N6-Methyl-L-lysineME1073450.891.190.92
Thiomorpholine 3-carboxylate_1ME1075360.881.190.93
Paramethadione_3ME1074360.971.220.81
Calcium salicylateME1070000.921.250.83
LycodineME1072990.881.250.85
EtodolacME1071390.971.090.94
Methyleugenol_4ME1073200.971.090.94
Oxidized Latia luciferinME1074310.951.100.95
4-GuanidinobutanoateME1068410.951.090.95
Benzofuran_2ME1069730.961.090.95
L-CysteateME1072530.981.110.91
N-Methyl-N^-nitro-N-nitrosoguanidineME1074030.961.110.93
HISTAMINEME1071940.971.100.93
EuxanthoneME1071410.971.110.92
L-Aspartate 4-semialdehyde_2ME1072500.971.100.92
Diethylene glycol_2ME1070960.981.050.97
Pantothenate_2ME1074330.991.050.96
4-Vinylcyclohexene_3ME1068640.991.060.95
Sebacic acid_1ME1074980.991.060.96
3-Fluoro-cis,cis-muconateME1067970.981.060.96
GLYCINEME1071730.981.060.96
TAURINEME1075290.951.070.98
HypoxanthineME1072040.951.070.98
N-Acetyl-L-leucine_4ME1073570.951.070.98
2-Hydroxycyclohexan-1-one_3ME1067600.951.090.97
3-Methyl-2-oxobutanoic acid_1ME1068020.941.080.98
MANNOSEME1073070.941.080.97
Suberic acid_3ME1075140.961.050.99
2-Hydroxymethylclavam_1ME1067610.951.050.99
Methyleugenol_2ME1073180.951.060.99
4-Hydroxy-2-quinolinecarboxylic acidME1068460.971.050.99
InosineME1072220.971.050.98
Nona-2,6-dienalME1074100.971.050.98
5,6-DIHYDROURACILME1068700.961.060.98
D-(-)-ARABINOSEME1070670.961.060.98
1,2,6-HexanetriolME1066970.961.070.97
1-Hydroxy-2-methyl-2-butenyl 4-diphosphateME1067160.971.060.97
Pantothenate_1ME1074320.971.060.97
3-HydroxyhexobarbitalME1067980.931.041.00
N-Trimethyl-2-aminoethylphosphonate_2ME1074140.941.051.02
Furfural diethyl acetal_1ME1071590.931.061.01
3-UREIDOPROPIONATEME1068190.931.061.01
Ethosuximide_3ME1071330.931.061.01
LicheninME1072660.931.090.98
2-Naphthylamine_1ME1067640.931.080.99
Glycerone_2ME1071710.921.090.99
4-Vinylcyclohexene_2ME1068630.911.081.01
Glutarate_1ME1071640.911.091.00
L-THREONINEME1072920.911.101.00
DiethanolamineME1070900.931.110.96
Phendimetrazine_2ME1074490.931.110.97
Furfuryl alcoholME1071610.921.100.98
Cycloheptanecarboxylic acid_1ME1070540.911.110.98
URATEME1075650.921.110.98
Catechol_1ME1070120.881.140.98
2-Oxobutanoate_1ME1067660.891.120.99
5-Hydroxyisourate_1ME1068900.911.120.97
XanthineME1075750.911.120.97
2,3-Dimethylmaleate_1ME1067300.901.130.98
ProtoanemoninME1074750.901.120.98
p-Benzoquinone_1ME1074380.901.120.98
Cycloheptanecarboxylic acid_3ME1070560.901.120.98
MorphineME1073280.901.120.98
2,3-DihydroxybenzoateME1067290.891.130.97
4-Hydroxy-2-butynal_1ME1068440.901.130.97
Isobutyronitrile_1ME1072230.901.130.97
L-AlanineME1072410.931.140.93
alpha-Sinensal_2ME1069420.941.120.94
MonodehydroascorbateME1073260.941.130.93
D-(+)-GLUCOSAMINEME1070680.901.150.95
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonideME1067050.921.150.93
BETA-ALANINEME1069780.911.150.94
Dihydroclavaminic acid_1ME1071000.861.131.00
5-AMINOLEVULINIC ACIDME1068830.851.160.99
5-Valerolactone_1ME1069020.851.151.01
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_3ME1066900.881.150.96
1,2,3-TrihydroxybenzeneME1066960.871.160.97
L-PROLINEME1072890.881.170.96
Succinic anhydrideME1075180.841.200.96
Diacetyl_2ME1070880.851.190.96
Diacetyl_3ME1070890.861.180.96
2-Furoate_1ME1067520.901.071.03
5-Aminolevulinate_4ME1068820.911.061.03
Methyleugenol_3ME1073190.911.061.03
3-MercaptolactateME1068010.901.051.05
1-(1-Oxopropyl)-1H-imidazole_2ME1066950.891.081.04
beta-Carboline_2ME1069800.891.071.04
4-Imidazolone-5-propanoateME1068520.891.061.05
L-2-Aminoadipate_2ME1072400.891.071.05
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEME1073780.901.031.07
Dehydroalanine_1ME1070740.921.021.06
PhenylhydrazineME1074530.921.031.05
5-Methylthio-D-riboseME1068970.921.051.03
4-AMINOBUTANOATEME1068310.921.041.04
Pulcherriminic acidME1074770.921.041.04
Methyl 2-diazoacetamidohexonate_2ME1073130.941.021.04
BatrachotoxinME1069690.931.031.04
Dihydro-4,4-dimethyl-2,3-furandioneME1070990.931.031.03
L-CARNITINEME1072520.931.001.07
(S)-ATPA_1ME1066920.940.981.08
(-)-Limonene_2ME1066520.950.981.06
4-Methyl-2-oxopentanoateME1068540.950.991.06
Indolelactate_1ME1072180.940.991.06
CumeneME1070510.891.001.11
Homostachydrine_1ME1071960.891.011.11
5-OXO-L-PROLINEME1069000.891.021.09
N-ACETYL-D-GALACTOSAMINEME1073470.881.021.10
cis-1,2-Dihydronaphthalene-1,2-diol_3ME1070250.920.981.10
Abscisate_2ME1069230.901.011.09
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_1ME1070910.911.001.09
1-Aminocyclopropane-1-carboxylate_2ME1067140.911.001.09
3-SulfocatecholME1068170.911.001.09
Linamarin_2ME1072680.801.111.09
4-Methylene-L-glutamine_2ME1068570.801.081.12
Indole-3-acetaldehyde_3ME1072140.821.081.10
Indolelactate_2ME1072190.791.071.14
AMPA_1ME1069460.801.061.14
Coenzyme BME1070330.791.061.15
Cyclohexylamine_2ME1070620.831.051.12
Cyclohexylamine_1ME1070610.821.061.12
Propyl cinnamateME1074740.831.061.12
ZeatinME1075780.821.051.13
2-Aminophenol_1ME1067450.831.041.13
Pyridoxamine_2ME1074820.831.041.13
L-PIPECOLIC ACIDME1072880.851.121.03
Myxalamid AME1073300.851.111.04
Glutarate_3ME1071660.821.141.04
UracilME1075630.831.121.05
2-Hydroxy-2,4-pentadienoate_1ME1067550.821.111.07
XYLITOLME1075760.831.111.06
N-METHYL-D-ASPARTIC ACIDME1074020.841.071.08
GUANINEME1071860.841.081.08
Isoquinoline_7ME1072320.841.081.08
Uridine_1ME1075670.851.081.07
(+)-NorephedrineME1066620.851.081.07
Tolmetin sodiumME1075410.851.081.07
Aristolochic acidME1069600.851.091.06
Boschnialactone_1ME1069890.861.081.06
N1-Methyl-2-pyridone-5-carboxamideME1073390.861.051.09
PirimicarbME1074670.861.051.09
DEOXYCARNITINEME1070800.861.031.10
N6-Acetyl-N6-hydroxy-L-lysineME1073440.861.031.11
Levetiracetam_4ME1072591.230.541.23
3-(Methylthio)propanoateME1067791.290.461.25
L-Tyrosine methyl esterME1072981.280.481.24
alpha-EMTBL_2ME1069381.320.501.18
N5-Phenyl-L-glutamine_2ME1073421.340.451.21
N,N-DimethylhistidineME1073371.370.471.17
4-Amino-1-piperidinecarboxylic acidME1068281.270.581.15
6-MethoxymelleinME1069101.270.561.17
Indole_2ME1072091.260.561.18
4-Dodecylphenol_1ME1068361.270.611.12
Linoleate_1ME1072691.260.621.12
4-Acetamidobutanoate_1ME1068221.290.611.11
N,N^-DiacetylhydrazineME1073361.280.601.12
2-Phenylacetamide_2ME1067711.310.581.11
3-MethyldioxyindoleME1068051.320.591.09
AcetylcysteineME1069271.320.631.05
(6Z,9Z,12Z)-Octadecatrienoic acid_1ME1066731.290.651.06
Fexofenadine_1ME1071501.280.651.07
D-Lysopine_1ME1071141.210.661.12
1-OleoylglycerophosphocholineME1067211.240.651.11
Calystegin B2_1ME1070021.260.641.10
4-Hydroxybutanoic acid_1ME1068471.370.611.01
Dehydroalanine_3ME1070761.440.521.04
Aromatic aldehyde_1ME1069611.400.551.05
3,4-Dihydroxy-L-phenylalanine_2ME1067821.370.571.06
MaculosinME1073001.380.561.06
(+)-Camphor_1ME1066591.360.541.10
Linoleate_3ME1072711.390.501.11
L-Aspartate 4-semialdehyde_3ME1072511.320.930.75
N-EthylmaleimideME1073801.290.980.73
GW 1929ME1071871.350.910.91
D-RiboseME1071211.270.850.88
Sphingosine_1ME1075061.270.840.89
FuberidazoleME1071561.260.870.87
BuprenorphineME1069961.280.870.85
PhenylacetylglutamineME1074521.260.880.85
NuatigeninME1074151.210.880.91
3-AMINO-4-HYDROXYBENZOIC ACIDME1067891.230.880.89
PentanamideME1074461.240.870.89
N-Acetoxy-4-aminobiphenylME1073461.230.930.87
AMPA_2ME1069471.220.900.88
5-O-Methyl-myo-inositolME1068981.200.920.89
Sphingosine 1-phosphateME1075081.210.910.89
1,4^-Bipiperidine-1^-carboxylic acid_1ME1067011.280.920.80
alpha-ErythroidineME1069391.240.930.83
D-Glucose_2ME1070861.230.980.80
Diisopropyl phosphateME1071021.200.980.82
AcridineME1069281.220.960.82
DiltiazemME1071061.210.950.83
Diacetyl_1ME1070871.310.681.01
3-Oxododecanoic acid_2ME1068151.270.701.03
Mandelonitrile_1ME1073021.270.701.03
(9Z)-Hexadecenoic acid_3ME1066781.280.731.00
N-Methyl-2-pyrrolidinone_5ME1074011.290.711.00
D-GLUCONO-1,5-LACTONEME1070831.290.760.95
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1ME1075311.320.750.94
Terpendole EME1075331.320.800.89
AbietateME1069211.280.810.91
D-XylonateME1071241.240.830.92
N-Isopropylammelide_2ME1073931.230.771.00
N-Amidino-L-glutamateME1073721.220.781.00
Abscisate_1ME1069221.220.771.01
(-)-Limonene_3ME1066531.220.771.01
L-HistidineME1072631.200.811.00
1-(1-Oxopropyl)-1H-imidazole_1ME1066941.180.820.99
5-Acetamidopentanoate_6ME1068771.190.820.99
Levetiracetam_1ME1072561.170.850.98
2-Oxooctadecanoic acid_1ME1067681.180.840.99
PhosphodimethylethanolamineME1074561.180.840.98
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acidME1066681.170.831.00
PeganineME1074421.160.841.01
Indole-5,6-quinoneME1072171.190.850.96
ArachidonateME1069581.220.820.96
Nalidixic acid_2ME1073681.220.830.95
4,8-Dihydroxyquinoline_1ME1068201.110.891.00
L-Tyrosine_3ME1072971.120.890.99
Linoleate_2ME1072701.130.880.99
L-Pipecolate_3ME1072861.130.880.99
Cycasin_2ME1070531.150.851.01
Sphingosine_2ME1075071.140.851.01
(E)-4-(Trimethylammonio)but-2-enoate_2ME1066831.140.861.00
(+)-Camphor_2ME1066601.140.870.99
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_4ME1066911.140.870.99
Levetiracetam_2ME1072571.120.861.02
2-Oxooctadecanoic acid_2ME1067691.110.861.03
(E)-4-(Trimethylammonio)but-2-enoate_1ME1066821.110.861.03
3,3^-Dimethylbisphenol AME1067801.110.871.02
Ethyl tiglateME1071371.110.871.02
N-Acetyl-L-citrullineME1073531.070.871.05
1-Aminocyclopropane-1-carboxylate_1ME1067121.090.871.04
AdifolineME1069311.090.871.05
4-ACETAMIDOBUTANOATEME1068261.130.831.04
(6Z,9Z,12Z)-Octadecatrienoic acid_2ME1066741.140.831.03
HistamineME1071931.160.801.05
4-Aminobutyraldehyde_2ME1068331.150.811.05
4-GuanidinobutanalME1068401.150.801.05
Castanospermine_1ME1070091.180.801.02
N-Nitrosopiperidine_1ME1074081.170.801.03
2-(Methylthio)ethanesulfonateME1067261.100.781.12
N-Methyl-2-pyrrolidinone_3ME1073991.110.781.10
O-Propanoylcarnitine_4ME1074251.100.821.08
Bis(2-chloroethyl)ether_1ME1069861.100.831.07
2-Hydroxymethylclavam_2ME1067621.110.831.06
4-Amino-2-hydroxylamino-6-nitrotolueneME1068291.100.831.06
8-Amino-7-oxononanoate_1ME1069131.130.811.06
1^-Acetoxyeugenol acetateME1067111.120.811.07
Isobutyronitrile_2ME1072241.120.811.07
N-Cyclohexylformamide_1ME1073731.120.791.09
5-Hydroxy-L-tryptophan_2ME1068931.120.801.08
LophophorineME1072821.120.801.08
Calystegin B2_3ME1070041.160.681.17
N-Acetylornithine_3ME1073631.170.681.16
Janthitrem C_2ME1072361.180.671.15
1,2-Bis(chloromethoxy)ethaneME1066981.170.671.16
L-Histidinol_2ME1072651.170.671.15
alpha-EMTBL_1ME1069371.190.591.22
5-Guanidino-3-methyl-2-oxopentanoateME1068871.220.601.18
Cucurbitine_2ME1070501.190.611.20
N-(6-Aminohexanoyl)-6-aminohexanoateME1073321.190.631.19
SuccimerME1075151.190.631.18
3,4-Dihydroxy-L-phenylalanine_1ME1067811.090.741.16
N-Hydroxy-L-valineME1073871.080.771.15
Fagomine_4ME1071451.130.711.17
Fagomine_1ME1071421.110.711.17
Mannitol_1ME1073041.110.721.18
N-Acetyl-L-leucine_2ME1073551.120.731.15
4-Methylene-L-glutamine_3ME1068581.130.741.13
Dihydroclavaminic acid_2ME1071011.140.741.12
Cucurbitine_1ME1070491.170.741.08
DeoxyvasicinoneME1070821.170.751.08
5-Acetamidopentanoate_4ME1068751.170.771.06
4-Acetamidobutanoate_4ME1068251.160.781.07
Etidronic acidME1071381.160.771.08
Glycyl-leucine_1ME1071781.220.731.06
N-Acetylimidazole_1ME1073501.230.711.06
N-FormylmethionineME1073851.220.701.07
D-Lysopine_2ME1071151.200.701.10
Tolylacetonitrile_2ME1075461.200.701.10
(6S,9R)-VomifoliolME1066721.170.731.11
Indole_4ME1072111.170.711.12
3-Methyleneoxindole_2ME1068071.180.721.10
N-Acetylornithine_2ME1073621.180.711.11

Factors:

F1Treatment :Baseline plasma
F2Treatment :Plasma after drinking apple juice
F3Treatment :Plasma after drinking cranberry juice
Data matrix
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