Clustering data with hclust algorithm for (Study ST000899)

HILIC NEGATIVE ION MODE (Analysis AN001465)
MetaboliteStructureF1F2F3
glucuronateME2299821.040.901.06
phenylpyruvateME2300071.031.000.98
mannitol/sorbitolME2299941.041.600.36
ribitolME2300101.040.921.05
2-isopropylmalateME2299571.250.771.02
asparagineME2299701.090.950.95
N-acetylaspartate (NAA)ME2300001.190.731.07
citrullineME2299711.040.980.99
mannoseME2299951.070.741.19
threonateME2300151.090.920.98
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)ME2299531.081.000.91
3-hydroxybutyrate (BHBA)ME2299601.200.111.69
myo-inositolME2299981.350.750.90
2-hydroxybutyrate/2-hydroxyisobutyrateME2299551.390.551.05
5-acetylamino-6-amino-3-methyluracilME2299631.210.920.84
alanineME2299651.071.030.90
fumarateME2299781.140.831.04
trans-4-hydroxyprolineME2300161.260.880.86
2-hydroxyglutarateME2299561.130.880.99
creatineME2299721.340.810.85
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)ME2299501.021.090.89
maleateME2299910.931.100.97
3-hydroxyisobutyrateME2299611.560.601.27
salicylateME2300120.170.092.74
erythritolME2299742.520.220.25
glycerophosphoethanolamineME2299850.930.931.14
alpha-ketoglutarateME2299671.210.731.06
hydantoin-5-propionic acidME2299891.080.641.24
3-hydroxy-2-ethylpropionateME2299581.180.781.04
gluconateME2299801.100.831.06
methylmalonate (MMA)ME2299961.151.010.85
succinateME2300141.090.861.05
N-acetylserineME2300021.170.741.09
N-delta-acetylornithineME2300041.210.900.89
3-hydroxy-3-methylglutarateME2299591.230.780.99
5-acetylamino-6-formylamino-3-methyluracilME2299641.120.900.92
N-acetylalanineME2299991.150.831.03
gulonic acid*ME2299881.020.871.13
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)ME2299521.200.860.94
pyruvateME2300081.200.820.98
arabonate/xylonateME2299691.090.841.08
glycerateME2299841.100.821.07
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)ME2299491.031.050.91
2,3-dihydroxyisovalerateME2299540.471.231.13
glutarate (pentanedioate)ME2299830.841.420.74
ribonateME2300111.040.831.13
3-methylglutaconateME2299621.350.710.94
dihydroorotateME2299731.100.881.01
guanidinoacetateME2299871.050.941.01
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*ME2299510.971.210.81
allantoinME2299661.070.901.03
erythronate*ME2299751.120.900.98
glycerophosphorylcholine (GPC)ME2299860.930.921.15
orotidineME2300061.090.751.16
maltoseME2299930.811.101.08
fructoseME2299770.811.171.02
serineME2300131.130.841.03
galactonateME2299790.681.600.57
malonateME2299921.210.830.96
1-arachidonoyl-GPA (20:4)ME2299481.041.020.94
ethylmalonateME2299761.190.761.05
quinateME2300090.941.280.64
arabitol/xylitolME2299681.110.851.03
N-acetylglutamateME2300011.170.880.94
orotateME2300051.040.761.20
imidazole lactateME2299901.240.880.89
N-acetylthreonineME2300031.150.761.09
glucoseME2299811.050.951.00
methylsuccinateME2299971.120.841.04

Factors:

F1Type:Control
F2Type:Crohn disease
F3Type:Ulcerative Colitis
Data matrix
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