Clustering data with hclust algorithm for (Study ST001658)

(Analysis AN002706)
MetaboliteStructureF1F2F3
MFCD00037215ME3889090.010.012.99
PioglitazoneME3889370.000.012.99
N-Acetylneuraminic acidME3889220.000.012.99
4-HydroxyprolylthreonineME3888210.000.012.99
4-guanidinobutanalME3888180.000.012.99
1,1^-(2,5-Pyrazinediyl)di(1,2,3,4-butanetetrol)ME3887950.000.012.99
2^-deoxymugineic acidME3888100.000.012.99
Reduced GlutathioneME3889520.010.002.99
5-Oxotetrahydrofuran-2-carboxylic acidME3888290.010.002.99
BenserazideME3888430.010.002.99
ThreonineME3889590.000.002.99
lys-leuME3889000.000.002.99
L-(-)-SerineME3888840.000.002.99
L-HistidineME3888940.000.002.99
L-(+)-Aspartic acidME3888860.000.002.99
(2R)-4-[(E)-2-{[(1S)-1-Carboxy-4-hydroxybutyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acidME3887140.000.002.99
ethyl argininateME3888680.000.002.99
Ofloxacin ethyl esterME3889320.000.003.00
N,N-diacetyllegionaminic acid (2)ME3889170.000.003.00
Methionine sulfoxideME3889060.000.003.00
L-Pyroglutamic acid (2)ME3888970.000.003.00
KanosamineME3888820.000.003.00
DL-ArginineME3888640.000.003.00
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name)ME3887160.000.003.00
D-(-)-GlutamineME3888550.000.003.00
Kanosamine (2)ME3888830.000.032.97
L-Glutamic acidME3888920.010.022.98
3,4-DiaminopyridineME3888140.010.022.97
arg-alaME3888420.010.022.97
LysylvalineME3889010.000.022.97
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID (2)ME3888280.000.022.98
N,N-diacetyllegionaminic acidME3889160.000.022.98
ISOXYLME3888810.020.012.97
val-argME3889690.010.012.98
pro-glnME3889440.010.012.98
Maleamic acidME3889030.010.012.98
CadaverineME3888490.010.012.98
DL-CitrullineME3888650.010.012.98
val-asnME3889700.010.032.96
3-PyrrolineME3888170.030.012.96
OxaceprolME3889330.020.022.96
DehydroglycineME3888580.020.022.96
N~6~,N~6~-DimethyllysineME3889190.020.022.96
TetraacetylethylenediamineME3889580.010.112.87
NJ5000000ME3889260.060.072.87
NPYRME3889290.070.032.90
HistamineME3888780.060.052.89
L-ProlineME3888950.060.052.89
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acidME3887930.020.042.94
ala-serME3888380.020.042.94
D-GlucosamineME3888590.010.052.94
StreptamineME3889550.020.052.93
tiaprideME3889600.030.032.94
2-Amino-3-(1H-imidazol-4-yl)propan-1-olME3888050.030.042.93
(Z)-dehydrobutyrineME3887180.030.042.93
N6-METHYLLYSINEME3889200.030.042.92
spinacineME3889540.030.042.92
Methylimidazoleacetic acidME3889070.000.092.90
pro-gln (2)ME3889450.030.072.90
6-Oxo-pipecolinic acidME3888320.020.072.91
MiglitolME3889110.020.072.91
Muramic acidME3889120.000.272.73
Succinyl prolineME3889560.000.182.81
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hydrazine-1-carboxamideME3888030.000.222.78
Methylol DimethylhydantoinME3889080.000.212.79
HIDAME3888770.130.042.83
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACIDME3888270.100.102.80
MA4000000ME3889020.120.132.75
4-Morpholinylacetic acidME3888240.330.072.60
NI3400000ME3889240.710.062.23
L-TheanineME3888980.500.232.27
(Z)-dehydrobutyrine (2)ME3887190.360.312.33
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofuranoseME3887960.010.752.25
2-Acetamido-2-deoxyglucoseME3888040.030.912.07
Aminolevulinic acidME3888400.030.352.62
D-(+)-GlucoseME3888560.030.392.58
2,3-DIHYDRO-3,5-DIHYDROXY-6-METHYL-4H-PYRAN-4-ONEME3888010.150.532.32
2^-DeoxyadenosineME3888080.000.612.39
2-Hydroxyhippuric acidME3888130.000.622.38
N-(4-Amino-1-carboxybutyl)glutamic acidME3889150.060.492.45
5-(4-Hydroxybutyl)-2,4-imidazolidinedioneME3888260.010.512.48
LU3453000ME3888990.030.482.48
DL-AlanineME3888630.072.200.73
HexitolME3888760.012.490.50
N-methylethanolamine phosphateME3889270.482.490.02
Υ-Aminobutyric acid (GABA)ME3889750.362.510.14
2-HydroxyfelbamateME3888120.042.880.08
MFCD01664827ME3889100.002.990.01
(15R,27R)-18,21,24-Trihydroxy-2,50-dimethyl-27-{[(9Z,11Z)-9,11-octadecadienoyloxy]methyl}-18,24-dioxido-12,29-dioxo-13,17,19,23,25,28-hexaoxa-18lambda~5~,24lambda~5~-diphosphadopentacontan-15-yl 22-methyltetracosanoateME3887130.012.950.03
aldehydo-D-glucosamine 6-phosphateME3888390.012.950.04
APMME3888410.302.670.03
L-Alanyl-L-prolineME3888870.172.810.02
ProlineME3889480.232.750.02
NicotinamideME3889250.142.700.16
Imidazolelactic acidME3888800.022.680.30
L-Aspartic acidME3888880.002.770.22
glutaralME3888722.800.160.03
pentobarbital (3)ME3889363.000.000.00
Gly-LysME3888742.990.010.01
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDEME3889142.990.000.01
Veronal (2)ME3889722.950.000.05
RV0540000ME3889532.930.020.05
DeanolME3888572.930.030.04
TiforminME3889612.930.030.04
glu-proME3888712.970.010.02
ViloxazineME3889742.950.020.03
CholineME3888532.960.020.02
UB6600000 (2)ME3889682.960.020.02
VeronalME3889712.940.050.00
6-(5-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)norleucineME3888302.940.040.02
AlanylclavamME3888362.950.040.01
HomocitrullineME3888792.890.100.01
Aceturic acidME3888342.810.080.10
PiracetamME3889382.850.090.06
2,4,6-triaminotolueneME3888022.860.010.13
1-(5-Decanoyl-4-nonyl-1,4-dihydro-3-pyridinyl)-1-dodecanoneME3887942.890.040.07
Veronal (3)ME3889732.880.040.08
pentobarbitalME3889342.660.330.01
CaprolactamME3888502.680.310.01
N-AcetylputrescineME3889232.680.310.01
6-Oxo-pipecolinic acid (2)ME3888332.670.060.27
(±)-Abscisic acidME3887122.640.120.24
lawsoneME3888892.530.280.20
Piracetam (2)ME3889392.540.290.17
Gly-l-proME3888732.400.250.35
Sulfuric acidME3889572.470.230.30
3-amino-2,3-dideoxy-scyllo-inososeME3888152.210.060.73
g-GuanidinobutyrateME3888702.370.070.57
4-Imidazolemethanol (2)ME3888231.980.630.39
Butoctamide semisuccinateME3888471.940.610.45
AdipamideME3888351.900.430.67
melamineME3889052.040.450.52
N,N-DiethylethanolamineME3889181.980.450.56
TriethylamineME3889642.170.380.45
UB6600000ME3889672.160.350.49
2-Aminonicotinic acidME3888072.270.310.42
Bis(methylbenzylidene)sorbitolME3888462.330.260.41
TriethanolamineME3889632.190.680.13
BicineME3888452.150.590.26
Butoctamide semisuccinate (2)ME3888482.290.430.28
11-Aminoundecanoic acidME3887982.200.460.34
TriisopropanolamineME3889652.230.510.27
N-methylethanolamine phosphate (2)ME3889281.531.280.19
PyridoxamineME3889491.561.200.24
TimonacicME3889622.020.970.01
ALA-PROME3888371.751.200.05
pentobarbital (2)ME3889351.831.170.00
BetaineME3888441.051.780.17
Diethylene glycolME3888600.941.510.56
l-HistidinalME3888931.051.210.74
trimethadioneME3889661.011.280.72
Pro-GluME3889460.171.361.47
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}-2-pyrrolidinecarboxylic acid (non-preferred name)ME3887970.001.231.77
Pro-Glu (2)ME3889470.061.221.72
4-HydroxyprolylalanineME3888190.011.901.09
L-(+)-AlanineME3888850.101.751.15
6-OxolysineME3888310.271.551.18
L-Pyroglutamic acidME3888960.051.621.33
1H-Imidazol-2-ol (2)ME3888000.641.410.95
PyrimidineME3889500.531.441.03
1H-Imidazol-2-olME3887990.391.131.47
(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-methyl-L-prolineME3887170.491.281.24
GuvacineME3888750.980.821.20
PPG n10ME3889400.950.801.24
Pyrimidine (2)ME3889511.130.950.92
4-ImidazolemethanolME3888220.791.181.04
CyclohexylamineME3888540.891.081.03
2^-DeoxycytosineME3888091.590.341.07
Dimethyl octanediimidateME3888621.210.611.19
PPG n9ME3889431.190.601.21
N-AcetylleucylleucineME3889211.260.431.31
Leu-ValME3888911.180.501.32
2-ETHYL-4,5-DIMETHYLOXAZOLEME3888111.210.511.28
EJ4025000ME3888661.200.531.27
nylon cyclic dimer (2)ME3889311.230.701.07
PPG n8ME3889421.260.631.11
4-HydroxyprolylleucineME3888201.300.541.16
carisoprodolME3888521.320.631.05
capurideME3888511.350.591.06
mebutamateME3889041.350.561.10
EJ4025000 (2)ME3888671.400.740.86
2-Amino-4-[(4-aminobutyl)amino]butanoic acidME3888061.370.650.98
Leu-LeuME3888901.360.680.97
DihydrothymineME3888611.030.401.57
(2S)-2-PiperazinecarboxamideME3887150.900.201.90
FurfuralME3888691.010.101.89
3-AminopyrrolidineME3888160.640.811.55
nylon cyclic dimerME3889300.380.751.87
4-Morpholinylacetic acid (2)ME3888250.660.451.90
MuscimolME3889130.580.601.82
PPG n10 (2)ME3889410.530.551.92

Factors:

F1Treatment:HPLC fraction 4
F2Treatment:HPLC fraction 5
F3Treatment:HPLC fraction 6
Data matrix
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