Clustering data with hclust algorithm for (Study ST000286)

(Analysis AN000454)
MetaboliteStructureF1F2
DeidaclinME1032271.00NA
N-Methyl-2-pyrrolidinoneME1033361.870.13
10-HydroxycarbazepineME1030772.000.00
MelatoninME1033141.980.02
AplysinME1031721.960.76
14-DihydroxycornestinME1030821.400.60
7-DehydrodesmosterolME1031591.610.39
DIETHANOLAMINEME1032341.520.48
ProsulfocarbME103385NA1.00
Penicillin KME103359NA1.00
ProbenecidME103382NA1.00
Toxyl angelateME1034080.571.43
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonideME1030790.721.28
4-Amino-2-hydroxylamino-6-nitrotolueneME1031330.661.34
TropinoneME1034150.981.02
Traumatic acidME1034110.981.02
(R)-MevalonateME1030690.981.02
Phthalate_1ME1033740.981.02
Orthophosphate_3ME1033500.981.02
N-Vinyl-2-pyrrolidoneME1033450.981.02
N-CyclohexylformamideME1033300.981.02
(-)-Jasmonic acidME1030580.981.02
HypoxanthineME1032860.981.02
HexylamineME1032820.981.02
gamma-ConiceineME1032660.981.02
Cyclohex-2-enoneME1032160.981.02
CITRULLINEME1032090.981.02
BoschnialactoneME1031880.981.02
Bensulfuron-methylME1031770.981.02
5-ValerolactoneME1031570.981.02
4-Hydroxy-2-butynalME1031430.981.02
3-MethyleneoxindoleME1031290.981.02
2-HydroxymethylclavamME1031100.981.02
2-Aceto-2-hydroxybutanoateME1031000.981.02
16-FeruloyloxypalmitateME1030830.981.02
2,2-Dichloro-1,1-ethanediol_1ME1030920.981.02
MandipropamidME1033110.991.02
Urate-3-ribonucleosideME1034190.991.01
TyramineME1034170.991.01
TolbutamideME1034060.991.01
SulfamethazineME1034000.991.01
PyridoxineME1033920.991.01
PsoralidinME1033870.991.01
ProtoanemoninME1033860.991.01
PhytuberinME1033760.991.01
Phenylacetaldehyde_1ME1033690.991.01
OctylamineME1033460.991.01
N-PhosphohypotaurocyamineME1033420.991.01
N-NitrosopiperidineME1033400.991.01
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidineME1033340.991.01
N-EthylglycocyamineME1033320.991.01
(-)-Menthyl acetateME1030590.991.01
MANNOSEME1033120.991.01
L-TyrosineME1033100.991.01
L-TryptophanME1033090.991.01
LovastatinME1033050.991.01
L-Methionine S-oxideME1033030.991.01
L-GLUTAMINEME1032970.991.01
HarmalolME1032780.991.01
GyromitrinME1032770.991.01
GoniothalenolME1032720.991.01
Furfural diethyl acetalME1032650.991.01
(E)-4-(Trimethylammonio)but-2-enoateME1030680.991.01
DihydroanhydropodorhizolME1032370.991.01
Diethylene glycolME1032350.991.01
Convallasaponin AME1032100.991.01
CinnamaldehydeME1032050.991.01
BetamethasoneME1031860.991.01
BergaptenME1031820.991.01
Azelaic acidME1031740.991.01
ArtecaninME1031730.991.01
Acetyl phosphateME1031630.991.01
5-MethylthiopentanaldoximeME1031550.991.01
5-AMINOPENTANOATEME1031540.991.01
5-Amino-6-(5^-phosphoribosylamino)uracilME1031520.991.01
5,6-DihydrothymineME1031490.991.01
4-Methylene-L-glutamineME1031460.991.01
3-Methyl-2-oxobutanoic acid_1ME1031270.991.01
3,4-MethylenedioxymethamphetamineME1031190.991.01
3,4-DihydroxyphenylethyleneglycolME1031180.991.01
3-(2-Hydroxyphenyl)propanoateME1031170.991.01
2-OxosuberateME1031150.991.01
2-MethylpropanamineME1031120.991.01
2-Ethylhexyl phthalate_1ME1031030.991.01
2,6-Diamino-7-hydroxy-azelaic acidME1030990.991.01
2,3-DimethylmaleateME1030970.991.01
2,2-Dichloro-1,1-ethanediol_4ME1030950.991.01
17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-oneME1030840.991.01
11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dioneME1030800.991.01
1,3,8-NaphthalenertriolME1030760.991.01
ZingeroneME1034251.001.00
TRANS-CINNAMATEME1034101.001.00
Tos-Lys-CH2ClME1034071.001.00
Saphenic acid methyl esterME1033961.001.00
PUTRESCINEME1033881.001.00
Prostaglandin B1_2ME1033841.001.00
Precocene IIME1033811.001.00
PiperideineME1033781.001.00
PIPECOLATEME1033771.001.00
Phthalate_2ME1033751.001.00
PantothenateME1033561.001.00
Orthophosphate_1ME1033481.001.00
NORLEUCINEME1033411.001.00
L-THREONINEME1033081.001.00
L-PhenylalanineME1033061.001.00
L-LYSINEME1033011.001.00
LicheninME1032991.001.00
L-HISTIDINEME1032981.001.00
L-ARGININEME1032921.001.00
GuanfacineME1032741.001.00
GLYCINEME1032711.001.00
GlutathioneME1032701.001.00
FosetylME1032641.001.00
FomepizoleME1032631.001.00
FerimzoneME1032601.001.00
D-XylonateME1032501.001.00
DodemorphME1032481.001.00
DodecanamideME1032471.001.00
DihydrosanguinarineME1032381.001.00
DeethylatrazineME1032261.001.00
Callytriol CME1032001.001.00
Butoctamide hydrogen succinateME1031971.001.00
ButanalME1031951.001.00
BotrydialME1031891.001.00
(+)-Bornane-2,5-dioneME1030601.001.00
beta-CotonefuranME1031851.001.00
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoateME1031791.001.00
Bakkenolide AME1031751.001.00
AlprazolamME1031701.001.00
alpha-SinensalME1031691.001.00
Acremoauxin AME1031641.001.00
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acidME1030671.001.00
9,12,13-TriHOMEME1031621.001.00
5-OXO-L-PROLINEME1031561.001.00
4-Aminobutyraldehyde_3ME1031371.001.00
3-PhosphonooxypyruvateME1031301.001.00
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanoneME1031231.001.00
2,5-Dichloro-4-oxohex-2-enedioateME1030981.001.00
1,2,6-Hexanetriol_1ME1030741.001.00
1H-Imidazole-4-methanol_2ME1030871.001.00
sym-HomospermidineME1034011.010.98
Phorbol 13-butanoateME1033721.010.99
Oxidized Latia luciferinME1033551.010.99
OrnalineME1033471.010.99
N-MethylpelletierineME1033381.010.99
N-METHYL-D-ASPARTIC ACIDME1033371.010.99
NICOTINAMIDEME1033351.010.99
LophocerineME1033041.010.99
IsoniazidME1032901.010.99
HippurateME1032831.010.99
HercynineME1032791.010.99
Ethyl 3-(N-butylacetamido)propionateME1032561.010.99
cis-2-Carboxycyclohexyl-acetic acidME1032081.010.99
cis-1,2-Dihydro-3-ethylcatechol_2ME1032071.010.99
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acidME1030661.010.99
4^-Hydroxy-3^-prenylacetophenoneME1031451.010.99
4-AMINOBUTANOATEME1031341.010.99
3-DehydroquinateME1031251.010.99
3-Chloro-D-alanineME1031241.010.99
2-NitrofuranME1031131.010.99
2-Hydroxycyclohexan-1-oneME1031091.010.99
2^-DEOXYGUANOSINEME1031021.010.99
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetateME1030911.010.99
1,2,3-Trihydroxybenzene_1ME1030721.010.99
1,2,6-Hexanetriol_2ME1030751.010.99
UROCANATEME1034200.941.06
Trp-P-1ME1034160.941.06
PyraclonilME1033890.941.06
L-CystineME1032950.941.06
PirimicarbME1033800.941.06
BufanolideME1031920.951.06
RabeprazoleME1033930.951.05
PyreneME1033900.951.05
FagomineME1032590.951.05
DevazepideME1032280.951.05
Cyclopiazonic acidME1032200.951.05
Apigenin 7,4^-dimethyl etherME1031710.951.05
CreatineME1032110.951.05
Melithiazol AME1033150.961.02
TrisphaeridineME1034140.971.05
Succinic anhydrideME1033980.971.03
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylateME1030710.971.03
PiperidioneME1033790.971.03
L-PROLINEME1033070.971.03
L-CARNITINEME1032930.971.03
Dimetacrine tartrateME1032410.971.03
CycasinME1032150.971.03
CalcitriolME1031980.971.03
Benzyl alcoholME1031800.971.03
8-Amino-7-oxononanoateME1031600.971.03
4-GuanidinobutanalME1031400.971.03
(3S,5S)-Carbapenam-3-carboxylic acidME1030640.971.03
(3-Arylcarbonyl)-alanineME1030630.971.03
1-PhenylethylamineME1030900.971.03
11-Aminoundecanoic acidME1030780.971.03
1^-Acetoxyeugenol acetateME1030850.971.03
Trimethylamine N-oxideME1034120.961.04
SimazineME1033970.961.04
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenolME1030700.961.04
Penicillin GME1033580.961.04
PaspalinineME1033570.961.04
OtonecineME1033530.961.04
N6-Acetyl-N6-hydroxy-L-lysineME1033250.961.04
MenadiolME1033160.961.04
MelamineME1033130.961.04
LinustatinME1033000.961.04
Elaeokanine CME1032510.961.04
DisulfiramME1032450.961.04
Dichloromethane_2ME1032320.961.04
Diallyl disulfideME1032300.961.04
DiacetylME1032290.961.04
Cholesterol sulfateME1032040.961.04
BurseranME1031930.961.04
BETA-ALANINEME1031830.961.04
8-DeoxylactucinME1031610.961.04
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2ME1031210.961.04
2-ThiophenesulfonamideME1031160.961.04
2-AminoadenosineME1031010.961.04
2-Oxooctadecanoic acidME1031140.961.04
MethylguanidineME1033191.080.95
N-CyclopropylammelineME1033311.060.94
N-AcetylputrescineME1033281.060.94
MonodehydroascorbateME1033211.060.94
Debrisoquin_2ME1032251.060.94
Cyclohexane-1,3-dioneME1032171.060.94
1-OctanalME1030881.060.94
4-VinylcyclohexeneME1031481.060.94
ADENINEME1031661.080.92
(9Z)-Octadecenoic acidME1030651.080.92
4-Aminobutyraldehyde_4ME1031381.080.92
3-Methyl-2-oxobutanoic acid_2ME1031281.080.92
4-Aminobutyraldehyde_2ME1031361.080.92
N-AcetylserotoninME1033291.080.93
Orthophosphate_2ME1033491.070.93
N6-(delta2-Isopentenyl)-adenineME1033241.070.93
HeteropyrithiamineME1032811.070.93
FluoroacetateME1032621.070.93
2,3-DihydroxybenzoateME1030961.070.93
CreatinineME1032131.070.93
SalicinME1033951.020.94
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-alME1031221.020.96
ThiofanoxME1034051.030.97
Pentylenetetrazole_2ME1033631.030.97
OstruthinME1033521.030.97
Orthophosphate_4ME1033511.030.97
CuauhtemoneME1032141.030.97
CREATININEME1032121.030.97
Bis(chloromethyl) etherME1031871.030.97
2-Hydroxy-2,4-pentadienoate_2ME1031071.030.97
Benzylpenicilloic acidME1031811.030.97
DopaquinoneME1032491.020.97
trans-4-HydroxycyclohexanecarboxylateME1034091.020.98
RhododendrinME1033941.020.98
N-Acetyl-L-citrullineME1033261.020.98
JasmoneME1032911.020.98
Indole-3-acetaldehydeME1032871.020.98
EuxanthoneME1032581.020.98
Ethyl tiglateME1032571.020.98
epsilon-CaprolactamME1032531.020.98
Chlorpromazine N-oxide_1ME1032021.020.98
beta-CarbolineME1031841.020.98
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphtholME1030621.020.98
4-OxocyclohexanecarboxylateME1031471.020.98
4-HexyloxyphenolME1031421.020.98
3-SulfocatecholME1031311.020.98
2-Ethylhexyl phthalate_2ME1031041.020.98
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridineME1031081.020.98
PhaseollidinME1033641.060.96
N-Trimethyl-2-aminoethylphosphonateME1033441.050.95
2-Hydroxy-2,4-pentadienoate_1ME1031061.050.95
N,N^-DiethylthioureaME1033221.050.95
URACILME1034181.040.96
Tris(butoxyethyl)phosphateME1034131.040.96
SulcatoneME1033991.040.96
PhosphoagmatineME1033731.040.96
PhenazopyridineME1033651.040.96
Pentylenetetrazole_1ME1033621.040.96
Militarinone DME1033201.040.96
MethyleugenolME1033181.040.96
L-CysteateME1032941.040.96
FlumioxazinME1032611.040.96
Buddledin A_1ME1031901.040.96
D-MANNOSAMINEME1032461.040.96
Gibberellin A12 aldehydeME1032690.851.05
TerazosinME1034040.891.05
DimethylbenzimidazoleME1032420.941.10
ZeatinME1034240.931.07
TarennosideME1034020.931.07
PhendimetrazineME1033660.931.07
OxethazaineME1033540.931.07
IsobutyronitrileME1032890.931.07
HistamineME1032840.931.07
DigitaloseME1032360.931.07
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1ME1031200.931.07
D-Arabinono-1,4-lactoneME1032230.931.07
N-AcetylornithineME1033270.921.08
Methyl 2-diazoacetamidohexonateME1033170.921.08
InosineME1032880.921.08
EprosartanME1032520.921.08
BeclomethasoneME1031760.921.08
1,2,3-Trihydroxybenzene_2ME1030730.921.08
6-DEOXY-L-GALACTOSEME1031580.921.08
XanthanME1034210.911.09
PyridostigmineME1033910.911.09
Diisopropyl phthalateME1032390.911.09
Buddledin A_2ME1031910.911.09
2-FuroateME1031050.911.09
3-IsopropylcatecholME1031260.911.09
PentanamideME1033610.891.11
2-MaleylacetateME1031110.891.11
GuanidinoacetateME1032750.891.11
PhenmetrazineME1033670.901.10
GraphinoneME1032730.901.10
Dichloromethane_3ME1032330.901.10
CyclopentanoneME1032190.901.10
4-Fluorocyclohexadiene-cis,cis-1,2-diolME1031390.901.10
5-AcetamidopentanoateME1031510.901.10
EthephonME1032540.861.14
N1-AcetylspermidineME1033230.861.12
cis-1,2-Dihydro-3-ethylcatechol_1ME1032060.871.13
13(S)-HPOTME1030810.871.13
1H-Imidazole-4-methanol_1ME1030860.871.13
Gentamicin C1aME1032680.881.12
CycluronME1032210.881.12
DinotefuranME1032430.881.12
N-Succinyl-2-L-amino-6-oxoheptanedioateME1033430.921.17
AcridineME1031650.891.19
Chlorpromazine N-oxide_2ME1032030.881.18
D-(-)-ARABINOSEME1032220.841.16
LevetiracetamME1032960.841.16
1-PalmitoylglycerophosphocholineME1030890.771.20
Yellow OBME1034230.801.20
Dichloromethane_1ME1032310.801.20
XanthineME1034220.801.20
4-AcetamidobutanoateME1031320.811.19
EthosuximideME1032550.821.18
Prostaglandin B1_1ME1033830.821.18
2,2-Dichloro-1,1-ethanediol_3ME1030941.250.75
Debrisoquin_1ME1032241.280.72
Calystegin B2ME1032011.220.78
4-GuanidinobutanoateME1031411.210.79
GUANINEME1032761.210.79
N-EthylmaleimideME1033331.140.86
AGMATINE SULFATEME1031681.160.84
2,2-Dichloro-1,1-ethanediol_2ME1030931.150.85
PentadecaneME1033601.150.85
4-Aminobutyraldehyde_1ME1031351.170.83
TaurineME1034031.170.83
Calcium L-aspartateME1031991.190.81
L-METHIONINEME1033021.190.81
HetacillinME1032801.180.82
CyclohexylamineME1032181.180.82
Dipropyl disulfideME1032441.180.82
BenzofuranME1031781.130.97
DikegulacME1032401.130.87
Phenylacetaldehyde_2ME1033701.120.88
5,6-DihydrouracilME1031501.120.88
N^-NitrosoanabasineME1033391.120.88
gamma-Glutamyl-beta-aminopropiononitrileME1032671.110.91
Phenylethyl alcoholME1033711.100.90
5-AminopentanamideME1031531.110.89
Phenyl acetateME1033681.110.89
Butanoic acidME1031961.090.91
(+)-CamphorME1030611.090.91
4-Hydroxy-2-quinolinecarboxylic acidME1031441.090.89
Hymexazol O-glucosideME1032851.080.89

Factors:

F1Treatment:CLFS
F2Treatment:Control
Data matrix
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