Clustering data with hclust algorithm for (Study ST002471)

Reversed phase POSITIVE ION MODE (Analysis AN004034)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10
PiperineME5842310.370.252.250.780.791.560.910.920.130.25
Betulinic acidME5841170.600.411.650.010.611.590.080.070.550.10
TG 54:9ME5842980.520.012.570.000.001.330.04NA0.05NA
TG 52:6ME5842870.700.362.510.300.241.050.470.111.200.12
TG 54:8ME5842970.490.082.480.140.111.980.150.040.980.01
SolasodineME5842420.160.982.860.061.620.130.13NA0.17NA
TG 48:4ME5842641.320.672.720.340.760.160.761.050.180.52
stigmastane-3,6-dioneME5842441.040.291.661.070.891.380.960.661.790.50
TG 54:7ME5842960.900.251.960.670.631.670.530.182.360.04
beta-tocopherolME5841161.160.381.480.840.281.410.920.232.740.45
delta-TocopherolME5841441.020.371.530.510.381.421.050.221.980.32
TG 51:4ME5842800.600.581.071.341.691.330.950.843.350.32
Coenzyme Q9ME5841430.950.491.300.821.061.200.971.463.170.66
SitosterolME5842321.040.221.450.560.961.561.011.142.500.77
TG 52:5ME5842860.830.421.451.061.751.620.690.702.290.16
TG 52:4ME5842851.010.431.201.871.501.480.900.921.810.25
TG 54:6ME5842951.120.321.361.811.641.470.771.031.850.09
TG 50:5ME5842740.430.921.431.071.861.080.862.311.420.41
DG 31:0ME5841460.960.701.211.222.121.080.961.700.720.53
TG 49:3ME5842680.650.740.691.781.871.521.141.871.780.61
TG 50:3ME5842720.620.730.901.281.901.571.151.581.100.53
TG 50:4ME5842730.720.900.911.461.571.271.031.171.090.43
TG 51:3ME5842790.640.980.691.441.641.381.091.321.530.57
TG 54:4ME5842930.820.441.112.372.061.370.862.081.670.38
TG 54:5ME5842940.940.381.242.362.001.380.782.011.350.26
DG 35:1ME5841540.640.790.522.561.521.820.851.700.710.57
TG 53:2ME5842880.580.830.832.011.551.680.871.240.570.57
TG 52:2ME5842830.650.641.032.101.491.570.891.690.810.60
TG 52:3ME5842840.850.511.092.161.631.470.901.611.270.45
PE 32:0ME5842251.020.651.621.370.170.801.050.040.111.61
TG 48:0ME5842600.900.511.680.400.061.441.230.190.110.79
5beta-Cholestan-3-one (5b-coprostanone)ME5841141.080.611.762.030.010.840.880.021.310.13
CampesterolME5841191.810.491.381.630.011.150.620.071.500.07
TG 50:6ME5842750.171.231.551.680.531.140.710.410.980.16
TG 50:2ME5842710.760.680.961.550.711.561.220.821.330.47
Menaquinone-4ME5841840.700.341.521.890.571.260.730.250.940.10
PC P-33:0 or PC O-33:1ME5842111.070.591.441.541.231.180.740.570.930.44
linoleoylethanolamideME5841670.340.741.330.460.621.521.431.630.170.72
TG 50:1ME5842700.590.930.941.250.331.630.981.280.540.84
TG 52:1ME5842820.520.911.051.280.421.690.752.050.320.67
TG 54:1ME5842900.430.811.311.390.481.710.592.030.270.62
TG 51:0ME5842760.970.990.931.800.140.891.310.840.730.68
TG 56:5ME5843041.131.260.721.860.270.631.220.221.280.48
DG 38:4_bME5841651.091.750.492.270.510.470.910.750.140.23
TG 45:0ME5842500.861.180.771.830.960.671.401.190.300.74
TG 49:1ME5842660.701.220.682.320.480.821.410.960.210.61
TG 51:2ME5842780.751.230.491.000.481.281.510.650.780.61
TG 51:1ME5842770.871.560.491.200.130.751.430.510.260.77
TG 47:0ME5842570.741.360.891.450.570.781.240.290.090.39
TG 49:0ME5842650.931.270.921.200.710.911.060.300.080.42
CE 14:0ME5841200.911.300.491.020.851.041.500.340.110.68
MG 18:0ME5841880.841.520.560.940.990.871.240.700.300.44
MG 16:1ME5841870.820.931.350.871.251.100.890.960.370.30
PC P-38:5 or PC O-38:6ME5842240.690.851.141.121.841.460.940.660.510.03
CE 20:3ME5841271.420.980.870.551.100.811.420.420.660.48
CE 22:4ME5841301.321.380.700.361.560.751.060.950.190.48
CE 22:5ME5841311.251.280.740.311.400.981.130.410.220.50
cholesterol b-glucoside/galactosideME5841411.300.451.310.770.981.391.100.670.670.92
C24:0 PCME5841180.931.240.920.820.980.871.050.800.580.93
LPC 17:0ME5841710.941.260.900.841.050.851.020.840.580.93
Cer 18:1;O2/24:1ME5841391.571.140.680.840.771.150.800.840.420.47
Cer 18:1;O2/16:0ME5841341.381.080.850.710.951.080.900.650.510.60
Cer 18:1;O2/24:0ME5841381.311.070.780.931.211.130.950.660.630.49
7-Dehydro-desmosterolME5841151.070.991.110.880.701.100.830.650.950.79
Cer 18:1;O2/22:0ME5841371.080.931.021.060.951.260.910.610.670.52
sphingosineME5842432.200.760.780.650.800.980.900.421.110.72
TG 52:0ME5842810.861.011.250.850.370.761.091.351.640.63
LPC 16:1ME5841700.880.541.150.420.541.811.370.540.740.22
Cer 18:1;O2/14:0ME5841331.520.751.120.820.681.360.760.280.740.35
Cer 18:1;O2/20:0ME5841361.040.731.450.940.401.270.910.211.130.25
TG 50:0ME5842690.920.891.290.700.160.981.320.650.840.56
CholesterolME5841401.220.811.230.460.721.230.810.391.211.03
CE 18:0ME5841231.020.691.070.960.681.201.350.661.580.73
Cer 18:1;O2/18:0ME5841351.270.641.450.700.470.961.190.381.390.48
coenzyme Q10ME5841421.180.621.240.650.441.161.350.451.270.86
TG 48:1ME5842610.610.950.610.870.250.922.621.200.120.77
TG 48:2ME5842620.720.850.691.080.610.702.621.680.350.63
DG 36:0ME5841562.061.010.690.830.590.561.021.740.610.63
PC 36:4_aME5842041.040.870.960.740.790.781.751.080.790.58
TG 48:3ME5842631.030.651.130.780.980.781.831.691.010.53
LPE 16:0ME5841800.941.430.740.931.320.760.941.890.100.34
MG 14:0_bME5841861.131.180.670.940.770.591.672.040.170.24
DG 32:0ME5841470.901.230.591.170.570.871.631.290.300.53
DG 34:0ME5841501.201.200.641.100.750.711.401.570.380.54
LPC 18:2ME5841740.421.820.342.050.380.820.783.400.110.07
LPE 18:2ME5841830.412.730.062.960.080.620.581.350.010.00
LPC 20:5ME5841770.292.110.242.210.260.900.642.100.070.03
LPE 18:1ME5841820.861.940.302.280.260.420.972.080.040.25
LPC 18:1ME5841730.782.080.221.680.370.490.822.010.050.21
LPC 24:0ME5841780.732.140.161.920.260.510.851.790.030.18
PC 38:3ME5842070.341.800.110.300.010.012.320.500.000.44
PC 31:0ME5841911.641.610.580.720.630.460.870.470.240.55
SM 18:1;O2/16:0ME5842331.212.030.240.631.160.350.980.700.090.62
SM 18:1;O2/24:1ME5842411.082.110.200.571.120.351.040.720.060.64
LPC 19:0ME5841751.282.180.170.580.820.280.840.820.190.58
PE 36:0ME5842261.212.170.150.620.810.421.010.540.110.33
SM 18:1;O2/18:1ME5842360.822.080.300.631.010.231.050.660.241.19
PC 30:0ME5841901.182.120.150.750.880.211.160.670.090.79
SM 18:1;O2/16:1ME5842340.972.090.160.610.670.221.180.670.000.99
SM 18:1;O2/18:0ME5842350.941.820.440.890.890.451.120.820.410.87
SM 18:1;O2/20:0ME5842370.791.740.260.361.220.491.250.470.220.94
SM 18:1;O2/22:0ME5842380.981.960.210.601.210.451.200.660.111.02
SM 18:1;O2/24:0ME5842401.171.850.310.621.390.441.090.770.130.98
CE 16:0ME5841210.891.630.500.430.450.661.510.560.301.06
CE 18:3ME5841260.891.630.410.440.300.821.520.520.221.16
CE 16:1ME5841220.921.720.390.390.350.751.410.340.170.80
CE 18:1ME5841240.981.580.530.450.550.631.550.360.340.83
CE 20:5ME5841291.001.800.150.410.200.611.700.270.011.26
CE 20:4ME5841280.832.180.240.180.230.431.310.240.051.12
CE 18:2ME5841250.881.900.310.280.280.551.480.460.161.24
SM 18:1;O2/22:1ME5842390.891.960.270.430.490.461.390.510.101.10
PC P-38:3 or PC O-38:4_bME5842231.231.740.400.470.530.491.141.380.180.45
PC 36:3ME5842030.791.660.580.840.510.431.540.990.290.51
PC 36:2ME5842020.592.150.300.540.380.181.640.960.100.63
PC P-36:4 or PC O-36:5ME5842210.762.000.230.62NA0.181.310.750.490.50
PE P-34:2 or PE O-34:3ME5842280.503.560.220.070.040.080.941.520.060.58
PC 38:4_aME5842080.593.380.120.200.030.141.140.950.180.54
PC 38:4_bME5842090.763.120.110.240.040.131.000.520.000.50
PE P-36:1 or PE O-36:2ME5842290.392.170.810.140.020.240.770.900.020.54
PE 36:1ME5842270.313.060.08NANA0.050.490.290.320.39
PE P-36:2 or PE O-36:3ME5842300.322.620.500.07NA0.210.780.350.080.41
TG 56:8ME5843070.372.890.050.440.040.121.230.270.030.38
TG 58:10ME5843100.292.550.070.490.010.181.240.32NA0.21
TG 58:9ME5843160.442.430.050.510.040.181.000.16NA0.25
DG 38:4_aME5841640.752.600.130.340.100.151.410.100.030.36
TG 58:6ME5843130.702.500.100.210.210.110.990.050.070.25
TG 58:7ME5843140.762.510.070.150.300.110.920.050.020.18
TG 56:6ME5843050.662.310.060.150.220.181.190.070.060.49
TG 56:7ME5843060.602.520.060.270.140.161.050.170.010.44
PC 36:0_bME5842000.551.760.140.380.440.120.750.34NA0.48
PC P-34:0 or PC O-34:1_bME5842130.601.960.150.570.430.090.690.29NA0.40
CE 22:6ME5841320.962.120.410.280.320.461.100.150.100.69
TG 58:8ME5843150.572.210.340.400.220.610.790.250.180.65
TG 60:12ME5843170.302.320.450.42NA0.510.760.120.090.70
PC P-34:1 or PC O-34:2ME5842140.762.440.170.540.060.111.121.320.001.27
DG 38:5ME5841661.082.400.170.600.140.281.170.440.000.35
PC 32:1ME5841931.252.210.090.390.250.071.400.790.070.62
PC 35:2ME5841980.702.620.040.22NA0.020.941.100.020.61
PC 38:2ME5842060.612.780.060.390.050.021.160.850.010.39
PC P-36:1 or PC O-36:2ME5842170.792.640.120.860.130.080.961.150.020.58
LPC 14:0ME5841681.022.450.040.640.440.100.760.850.010.08
PC P-36:3 or PC O-36:4_aME5842190.942.470.070.390.320.051.091.000.040.36
PC P-34:0 or PC O-34:1_aME5842120.952.420.120.640.390.101.050.970.010.51
PC 34:1ME5841950.962.320.190.550.230.101.190.940.080.67
PC 36:1ME5842010.852.380.190.530.270.141.101.000.070.69
PC 36:0_aME5841990.802.680.110.320.310.090.900.470.130.66
PC P-36:3 or PC O-36:4_bME5842200.882.570.060.380.310.051.040.680.070.47
LPC O-18:0ME5841790.852.560.130.750.500.190.690.770.020.56
PC P-34:2 or PC O-34:3ME5842150.902.380.110.620.650.170.860.720.010.44
PC 32:0ME5841920.962.460.130.480.550.140.930.810.030.68
PC 34:3ME5841970.962.510.100.450.520.110.920.740.010.68
LPC 20:3ME5841761.002.560.100.540.270.190.690.920.030.46
LPC 16:0ME5841690.992.520.100.610.320.190.790.840.020.36
LPE 18:0ME5841810.982.580.110.500.270.120.780.830.010.39
PC P-36:0 or PC O-36:1ME5842160.902.610.090.660.260.070.870.810.000.64
LPC 18:0ME5841721.002.540.100.560.370.160.770.750.010.60
PC 34:0ME5841940.872.580.100.500.420.110.820.780.060.55
PC P-36:2 or PC O-36:3ME5842180.652.050.060.62NA0.030.891.370.020.52
PC P-38:3 or PC O-38:4_aME5842220.671.840.121.010.020.100.940.69NA0.63
PC 38:6ME5842100.370.660.130.150.220.075.360.070.020.05
PC 34:2ME5841960.481.510.240.260.250.143.510.610.170.52
PC 36:4_bME5842050.421.190.200.250.160.164.440.460.030.41
TG 46:0ME5842520.540.570.740.580.250.564.020.730.070.56
TG 42:0ME5842450.890.071.360.180.160.134.480.920.070.07
TG 44:0ME5842470.720.220.970.280.310.204.711.240.060.30
TG 43:0ME5842460.650.830.461.291.560.532.722.450.270.47
TG 44:1ME5842481.040.151.750.380.550.173.002.500.090.14
TG 44:2ME5842490.580.152.140.440.550.392.702.230.200.10
DG 30:0ME5841450.650.440.940.771.010.483.263.160.300.45
TG 46:1ME5842530.940.421.330.780.680.292.802.690.090.37
TG 46:2ME5842540.790.461.540.791.000.332.392.840.190.34
DG 32:1ME5841480.780.810.501.391.451.441.413.690.390.48
MG 14:0_aME5841851.471.360.440.780.890.291.214.960.080.16
DG 38:1ME5841610.320.230.665.150.822.640.291.370.430.24
DG 38:2ME5841620.340.460.697.091.401.800.330.690.160.29
TG 47:1ME5842580.661.130.703.520.990.631.111.980.230.74
TG 47:2ME5842590.651.040.704.771.190.600.961.700.260.58
DG 38:3ME5841630.741.070.655.440.720.750.740.510.200.35
TG 58:3ME5843120.890.291.385.950.261.220.350.190.301.06
TG 60:3ME5843191.110.271.395.280.201.160.290.130.550.68
TG 56:2ME5843010.620.251.343.400.972.210.330.720.380.59
TG 56:3ME5843020.640.431.113.421.511.900.500.770.700.66
TG 56:1ME5843000.530.341.573.810.201.760.300.950.510.89
TG 58:1ME5843090.640.291.543.990.241.600.210.320.340.47
TG 58:2ME5843110.860.181.314.350.311.810.370.290.340.91
TG 60:2ME5843180.770.201.353.960.471.640.260.170.381.24
TG 62:3ME5843201.540.401.393.950.200.890.210.020.160.23
TG 49:2ME5842670.621.100.663.440.701.071.130.700.360.35
TG 56:4ME5843031.080.800.973.700.420.980.740.350.980.55
TG 45:1ME5842510.660.990.653.771.010.571.064.150.310.94
DG 32:2ME5841491.050.650.602.563.700.960.924.320.700.33
TG 57:2ME5843080.500.270.932.511.993.070.260.580.260.12
TG 55:3ME5842990.460.480.773.514.311.970.501.090.870.27
DG 34:3ME5841530.500.341.321.873.742.030.431.830.500.14
DG 36:3ME5841590.610.311.233.083.531.680.442.660.370.20
MG 18:2ME5841890.760.591.073.263.621.160.493.030.180.07
TG 53:3ME5842890.550.510.882.683.631.740.602.380.910.39
DG 35:2ME5841550.390.440.593.013.622.360.412.010.300.21
DG 36:2ME5841580.420.370.802.793.242.300.522.890.340.28
DG 34:2ME5841520.740.460.853.112.771.830.641.750.590.24
DG 36:4ME5841600.820.271.462.813.021.520.461.710.560.11
DG 36:1ME5841570.410.610.802.172.262.170.592.870.200.38
TG 54:3ME5842920.590.431.032.272.471.740.872.221.010.40
DG 34:1ME5841510.540.530.842.362.212.110.662.140.390.40
TG 54:2ME5842910.410.481.232.112.681.880.562.260.420.41
TG 46:3ME5842550.500.751.780.323.150.311.067.890.190.46
TG 46:4ME5842561.290.481.870.217.590.250.473.790.140.04

Factors:

F1collectionWeek:0 | PUCAI_C3_WKall:mild
F2collectionWeek:0 | PUCAI_C3_WKall:moderate/severe
F3collectionWeek:12 | PUCAI_C3_WKall:inactive
F4collectionWeek:12 | PUCAI_C3_WKall:mild
F5collectionWeek:12 | PUCAI_C3_WKall:moderate/severe
F6collectionWeek:4 | PUCAI_C3_WKall:inactive
F7collectionWeek:4 | PUCAI_C3_WKall:mild
F8collectionWeek:4 | PUCAI_C3_WKall:moderate/severe
F9collectionWeek:52 | PUCAI_C3_WKall:inactive
F10collectionWeek:52 | PUCAI_C3_WKall:moderate/severe
Data matrix
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