Clustering data with hclust algorithm for (Study ST000390)

(Analysis AN000626)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29
arachidic acidME1340180.790.430.380.700.390.340.520.420.350.260.910.700.480.310.700.470.320.8222.600.400.290.270.510.340.350.260.440.650.53
5-aminovaleric acidME1340330.501.630.520.570.650.660.600.940.650.900.790.490.580.610.990.510.410.703.2911.610.490.870.651.160.790.800.750.710.86
sorbitolME1338980.420.760.590.640.660.330.820.750.620.970.120.950.510.240.891.730.970.8210.740.740.600.800.560.770.860.170.840.690.60
glycerol-alpha-phosphateME1339671.722.151.031.340.380.690.730.570.891.727.640.860.600.851.191.420.960.690.880.461.040.960.610.441.540.600.611.200.88
sucroseME1338930.510.901.970.650.160.421.490.630.673.118.400.540.722.230.500.890.772.792.172.960.540.160.360.140.390.060.920.410.70
inosine 5^-monophosphateME1339520.380.210.250.650.300.410.300.561.820.350.381.090.320.350.900.995.500.180.352.960.270.220.450.321.785.290.351.330.77
xanthineME1338720.244.680.201.240.641.640.440.631.871.040.110.400.750.430.470.681.182.420.613.540.450.760.421.160.631.950.861.110.86
dihydroabietic acidME1339941.140.750.431.141.722.111.020.670.620.940.330.900.611.076.610.791.280.661.611.280.800.821.160.871.041.101.131.080.36
3-hydroxybutanoic acidME1340390.200.150.410.170.640.600.850.260.610.250.171.270.592.000.191.060.691.823.633.862.591.850.820.421.110.660.660.731.05
2-aminoadipic acidME1340470.410.340.590.610.901.960.883.190.454.360.650.760.510.821.280.741.240.503.370.550.800.720.650.651.450.550.671.601.01
methionine sulfoxideME1339310.630.790.350.870.732.891.430.480.470.780.480.930.980.871.360.490.480.474.390.660.750.510.903.530.620.931.440.710.79
tryptophanME1338820.080.550.040.190.930.061.140.630.940.510.611.330.621.331.400.960.710.920.621.610.951.490.945.371.180.921.010.781.06
octadecanolME1339250.670.360.380.610.671.400.730.610.450.461.055.510.420.792.330.560.990.330.650.530.790.370.570.700.730.800.640.730.63
kynurenineME1339451.123.690.582.872.111.360.931.800.600.550.300.452.190.881.920.430.290.720.681.470.900.201.860.510.590.291.370.891.11
2-monopalmitinME1340421.410.691.313.691.010.761.050.150.640.880.541.730.690.874.101.010.480.290.430.400.560.511.161.270.850.781.170.940.92
dihydrosphingosineME1339931.691.000.842.771.871.270.980.370.530.570.931.101.311.073.460.610.780.560.820.480.640.442.961.010.710.491.260.860.69
lysineME1339400.540.230.761.941.890.731.110.180.310.220.291.891.640.912.810.540.460.180.590.450.730.183.351.160.720.441.830.540.75
ribonic acidME1339030.770.350.510.752.483.260.911.040.651.170.621.060.601.031.060.761.370.421.722.412.800.540.700.880.940.850.821.060.64
glycerol-3-galactosideME1339680.511.830.240.950.380.650.391.440.701.420.800.410.280.510.460.480.450.640.301.240.360.700.420.460.610.631.243.701.30
4-hydroxyprolineME1340350.930.280.390.550.510.610.470.302.540.440.370.430.450.511.080.540.460.430.484.950.470.372.630.460.390.521.151.490.43
creatinineME1340010.341.310.890.460.550.830.750.501.151.371.270.650.730.670.600.821.291.342.553.380.681.020.600.751.131.570.940.981.00
fucose+ rhamnoseME1339800.480.530.671.000.601.190.510.661.930.552.360.540.350.480.930.700.710.831.274.350.521.090.650.541.201.250.631.320.97
5^-deoxy-5^-methylthioadenosineME1340320.800.840.691.490.601.150.560.681.320.791.450.640.500.521.400.841.070.731.344.220.760.320.620.431.011.400.801.341.08
fucoseME1339810.730.790.461.290.871.490.690.831.100.891.290.840.570.671.230.830.700.851.213.300.810.700.890.641.031.370.851.271.06
methanolphosphateME1339334.050.920.823.581.011.410.840.640.880.871.110.840.800.781.230.960.910.521.161.100.650.481.220.461.050.990.811.250.87
riboseME1339024.711.760.611.521.281.140.720.470.611.611.460.900.870.831.261.090.380.640.561.080.660.931.840.601.730.831.000.930.92
5-methoxytryptamineME1340303.522.390.900.740.791.471.120.550.600.871.110.810.810.952.061.180.921.520.660.681.390.540.800.651.100.741.051.230.70
inositol allo-ME1339513.771.520.910.781.171.400.980.630.530.880.951.170.561.311.990.840.731.670.690.761.470.391.160.630.990.600.901.210.94
cytidine-5^-diphosphateME1339970.811.961.310.320.610.661.300.971.002.501.760.610.871.380.871.030.461.950.610.631.352.990.500.650.831.251.190.680.97
3-phosphoglycerateME1340370.990.101.973.011.570.801.500.260.460.580.271.691.571.531.230.460.630.641.530.801.420.150.800.760.400.561.570.690.81
conduritol beta epoxideME1340022.410.493.341.751.211.080.750.520.881.191.071.660.661.581.311.581.341.600.810.670.390.260.510.330.680.470.550.770.99
triethanolamineME1338831.530.561.660.730.760.981.340.930.780.544.121.001.160.762.820.820.850.760.770.570.710.421.060.800.951.011.210.890.80
adenosineME1340270.830.240.530.650.151.350.640.491.311.043.710.760.210.850.441.441.780.721.250.320.450.241.670.101.000.531.081.340.93
fructoseME1339840.871.370.401.030.430.761.170.770.511.053.360.550.550.991.231.520.490.512.130.520.540.820.690.462.510.420.851.530.83
digalacturonic acidME1339950.971.790.610.870.951.500.711.320.971.773.020.660.480.851.661.530.700.950.610.500.690.690.860.731.270.711.071.021.05
trehaloseME1338840.672.470.220.600.921.580.521.561.141.904.080.540.340.581.431.880.700.780.540.320.430.570.720.821.420.590.821.161.12
cellobiotolME1340060.682.340.270.680.961.510.551.541.111.743.700.570.360.651.541.890.650.860.570.340.520.570.760.801.400.640.861.161.06
maltoseME1339370.642.380.240.610.981.530.551.621.081.753.800.570.350.661.581.890.670.810.580.320.500.580.730.851.380.590.851.181.07
ethanol phosphate NISTME1339872.132.491.440.770.731.260.770.860.930.833.060.790.840.920.800.980.550.940.980.640.931.091.180.561.420.360.981.190.95
guanosineME1339611.680.721.571.440.731.080.990.840.821.671.750.750.960.911.501.270.431.490.430.801.041.281.250.301.320.831.210.721.00
inosineME1339531.691.171.681.510.711.030.960.880.901.563.150.810.910.791.261.360.551.310.380.830.931.000.970.191.160.841.070.810.98
gamma-tocopherolME1339771.411.660.701.901.010.710.680.440.990.674.211.350.540.511.471.650.820.770.401.250.760.980.590.391.170.580.910.990.90
tocopherol alphaME1338860.871.690.892.510.600.930.670.491.771.423.200.800.430.270.911.451.331.480.280.920.201.250.950.102.100.650.361.090.73
maltotrioseME1339360.871.000.060.761.781.810.511.141.022.610.570.670.250.822.732.230.160.790.630.570.760.630.960.141.110.510.991.101.00
ascorbic acidME1340160.550.680.380.580.770.950.810.323.480.450.870.980.641.181.820.580.630.570.450.451.150.520.920.440.580.600.820.850.66
quinic acidME1339050.610.370.410.592.341.592.030.261.910.440.720.630.500.611.750.490.710.432.591.110.640.321.260.480.440.540.920.580.53
galactose-6-phosphateME1339781.031.930.581.061.450.831.070.330.620.890.571.001.431.002.751.360.580.380.880.590.941.911.061.130.872.081.250.601.02
fructose-6-phosphateME1339820.672.520.421.071.600.511.190.140.561.150.240.981.691.211.721.550.190.301.460.670.582.061.730.940.892.891.120.400.91
glucose-6-phosphateME1339740.941.810.410.911.390.701.150.160.551.070.760.941.621.461.541.470.300.351.300.780.602.661.211.200.912.761.170.530.94
2-hydroxybutanoic acidME1340460.360.230.980.350.930.861.140.490.830.450.180.851.621.650.650.741.741.121.551.542.101.521.061.011.361.100.920.840.99
uric acidME1338760.330.291.060.440.770.610.770.621.340.850.491.031.720.600.461.291.821.430.651.592.282.050.810.040.961.590.801.210.66
alpha ketoglutaric acidME1340220.110.750.401.470.920.470.750.550.871.251.221.131.151.843.960.590.580.720.820.920.350.661.001.330.781.361.471.470.74
adipic acidME1340251.670.660.570.911.061.311.200.620.610.870.771.112.890.863.060.841.050.550.900.901.090.661.010.580.951.311.040.910.83
azelaic acidME1340131.230.830.681.150.671.271.210.470.560.860.791.391.300.433.410.890.950.511.981.001.540.400.720.420.851.221.311.000.75
5,6-dihydrouracilME1340340.350.830.431.420.731.620.590.651.880.710.550.380.620.470.721.120.562.130.792.060.531.200.540.551.141.930.701.281.05
phosphoethanolamineME1339120.360.331.212.201.031.250.870.391.161.260.620.960.980.930.711.120.750.950.721.090.550.271.120.100.991.870.641.441.13
adenosine-5-phosphateME1340260.640.410.572.030.200.800.410.491.750.360.961.020.460.660.501.012.190.390.971.110.390.070.890.121.231.000.292.291.05
2-hydroxyglutaric acidME1340452.290.640.871.360.590.900.651.120.871.580.540.850.610.680.971.031.071.161.030.710.670.291.050.612.280.990.541.940.92
cytidine-5-monophosphate NISTME1339961.491.650.711.770.401.051.220.651.270.782.050.570.390.430.791.061.170.320.401.280.510.250.800.121.531.230.652.110.59
UDP GlcNAcME1338801.171.630.991.580.550.870.451.181.671.521.290.570.510.541.311.311.390.420.850.750.290.481.030.241.701.620.491.810.79
cysteine-glycineME1339991.642.580.571.221.931.551.080.780.580.510.940.981.081.211.781.080.680.530.761.021.070.611.231.110.820.721.050.950.90
shikimic acidME1338991.612.960.591.410.771.720.910.670.900.701.030.981.390.721.691.040.791.130.960.690.740.550.780.870.770.671.151.190.80
nicotinamideME1339280.492.070.810.350.681.210.771.881.221.841.230.540.780.940.430.890.921.480.480.850.931.360.790.871.391.190.961.181.18
methionineME1339320.703.210.771.141.160.950.871.551.061.140.710.741.020.861.050.760.531.090.291.310.711.510.922.190.911.011.111.011.11
leucineME1339430.703.320.690.980.990.860.841.881.081.200.770.680.970.801.040.700.651.100.801.350.831.410.951.830.981.021.121.001.10
phenylalanineME1339150.582.900.640.880.980.970.861.621.001.420.660.760.950.881.220.780.541.090.721.410.611.340.991.801.100.951.111.041.08
prolineME1339090.392.000.510.770.830.710.731.441.471.221.000.650.740.620.540.960.710.930.671.260.631.100.871.081.261.171.061.191.16
isoleucineME1339470.562.370.650.970.970.980.861.321.080.940.840.731.030.800.910.780.721.190.921.480.871.360.901.081.071.131.121.071.09
tyrosineME1338810.592.600.621.111.070.850.891.501.001.250.570.861.100.771.190.800.661.030.691.410.631.031.211.151.050.921.071.021.13
xylitolME1338701.920.820.850.830.781.150.661.881.302.560.440.670.940.510.610.970.891.011.491.821.131.540.800.511.401.520.760.911.08
cysteineME1340001.031.471.261.210.981.060.641.101.311.680.910.740.790.600.241.011.161.080.451.920.822.540.830.130.771.020.831.301.06
arachidonic acidME1340170.381.410.561.740.680.580.781.621.011.620.920.860.650.421.031.060.501.330.121.080.612.520.740.101.141.011.141.641.00
linoleic acidME1339410.601.090.521.720.830.440.982.410.771.281.150.970.930.831.331.050.711.270.401.351.361.740.720.361.280.891.111.121.01
salicylaldehydeME1339012.690.600.910.801.050.721.061.400.760.742.471.011.010.742.171.321.541.031.070.790.830.410.670.611.440.531.070.800.78
acetophenone NISTME1340292.580.200.982.001.000.380.931.160.780.222.031.451.320.320.961.480.681.370.921.010.360.241.130.300.800.321.350.660.94
2-phenylpropanol NISTME1340412.830.370.981.971.020.950.961.040.770.442.171.351.490.561.321.181.070.941.070.940.620.411.200.401.080.621.040.700.88
stearic acidME1338962.360.441.162.120.880.741.081.220.820.501.801.371.150.571.491.360.910.961.350.810.570.511.220.490.660.560.940.780.90
aspartic acidME1340142.510.301.161.661.251.280.960.660.870.940.650.971.091.000.781.320.921.110.870.900.890.701.150.960.551.540.930.921.01
phenylethylamineME1339141.800.290.871.131.670.721.380.400.880.311.160.511.420.990.700.890.660.780.431.041.110.231.730.321.060.901.311.070.94
allantoic acidME1340230.771.020.441.000.971.421.540.460.650.520.541.200.901.981.660.720.710.651.671.012.100.650.922.950.800.931.190.800.59
biuretME1340090.760.310.520.890.711.301.230.310.500.460.671.550.782.091.660.630.820.651.270.721.440.530.891.170.641.071.420.961.11
tagatoseME1338920.950.570.930.871.171.081.240.460.710.790.841.110.631.482.180.791.040.540.890.661.230.891.122.310.580.751.191.140.94
uridineME1338751.571.560.300.151.290.791.060.980.571.170.291.171.301.062.140.890.161.040.841.310.951.121.571.481.410.641.380.561.02
erythronic acid lactoneME1339880.180.340.090.031.700.711.070.240.710.360.771.261.081.231.200.661.060.280.950.961.191.421.351.800.910.371.370.771.50
gluconic acidME1339761.000.970.731.271.460.642.430.730.431.190.561.121.741.131.360.690.480.461.020.761.571.071.120.510.640.530.980.600.93
cystineME1339980.650.860.810.762.550.801.100.410.950.740.341.362.011.380.841.180.560.510.441.240.540.501.860.270.590.680.880.840.88
spermidineME1338971.390.480.821.332.050.781.040.350.560.720.581.341.401.182.130.980.630.760.751.271.460.641.791.010.610.471.070.930.89
citrullineME1340030.850.750.510.791.281.211.180.450.670.490.421.501.120.982.120.730.610.530.940.860.710.681.511.530.780.811.340.920.96
histidineME1339600.471.010.721.241.310.821.010.750.730.550.301.531.630.931.090.740.480.730.710.910.920.701.931.460.720.951.330.801.03
ornithineME1339230.550.460.901.021.561.001.250.640.590.380.511.731.451.181.330.730.590.481.200.830.990.441.541.390.590.711.310.820.91
mannitolME1339350.480.291.581.020.820.571.320.770.790.810.281.931.120.660.481.251.040.830.610.510.950.551.580.301.230.570.790.671.17
mannoseME1339340.860.750.181.020.960.600.910.590.840.900.631.171.031.280.791.400.130.431.120.891.420.251.850.481.760.980.890.961.14
citric acidME1340040.920.271.490.711.482.001.390.420.520.910.241.601.171.661.071.160.840.300.690.361.470.391.340.370.451.191.130.860.83
glucoseME1339750.371.131.340.241.070.651.530.390.450.600.141.851.182.410.641.011.070.530.800.341.841.181.211.210.650.521.100.581.03
3-aminoisobutyric acidME1340401.170.460.750.781.101.051.060.490.830.671.750.880.530.821.311.070.660.743.211.880.870.491.011.201.191.030.850.870.99
4-hydroxybutyric acidME1340360.490.790.741.880.721.380.800.811.020.790.730.770.730.871.580.860.871.072.312.000.850.870.731.111.061.020.831.251.00
238267 trisaccharideME1340480.570.890.180.790.901.630.590.330.791.120.720.590.500.551.671.950.760.790.920.890.671.811.000.630.690.950.971.151.61
putrescineME1339070.801.970.400.850.951.121.070.500.730.990.550.970.630.812.290.840.640.541.241.770.582.221.370.861.191.090.931.270.89
isothreonic acidME1339460.641.080.750.591.162.310.831.061.052.170.940.980.720.910.880.891.250.661.081.721.520.760.670.551.040.880.781.011.09
ribitolME1339040.690.850.520.920.692.110.801.541.252.361.410.540.540.501.231.220.981.180.781.140.760.880.550.371.291.430.771.440.90
UDP-glucuronic acidME1338790.780.880.731.030.651.640.881.571.121.731.701.120.490.581.461.230.730.550.921.110.570.820.870.651.101.090.991.210.77
arabitolME1340191.090.640.771.020.851.410.851.251.201.680.530.940.811.001.901.171.820.861.390.901.111.070.510.051.440.940.771.050.82
indole-3-lactateME1339540.630.930.770.620.980.710.850.470.950.620.631.060.790.741.651.152.531.120.820.941.550.970.970.591.121.081.170.980.90
guanineME1339621.020.220.470.591.330.671.031.361.041.190.620.751.261.020.830.960.362.140.940.830.901.311.221.541.420.761.070.831.01
ethanolamineME1339861.041.101.110.780.871.250.901.170.991.140.630.620.701.010.330.720.681.310.771.110.790.621.300.892.140.681.031.271.04
glutamic acidME1339720.980.521.230.950.861.080.890.751.221.351.240.780.990.720.511.221.321.050.710.890.630.750.880.611.181.740.781.231.03
oxoprolineME1339201.030.701.100.701.031.020.960.881.171.070.950.850.951.000.541.181.081.190.960.960.830.800.760.611.061.350.971.031.05
aminomalonic acidME1340210.811.091.220.810.951.160.880.891.171.390.600.700.710.900.560.860.700.980.721.140.810.890.881.051.431.110.971.251.20
glycineME1339650.990.741.300.930.991.030.991.261.141.150.730.871.050.890.720.980.911.130.741.160.811.120.980.881.160.860.991.080.95
arabinoseME1340201.030.991.061.170.821.470.960.951.031.341.440.810.690.730.971.151.190.770.951.420.711.230.810.541.400.640.931.140.88
trans-4-hydroxyprolineME1338851.310.641.161.120.781.230.940.761.100.841.550.770.690.801.201.300.960.790.811.330.810.910.860.701.371.690.930.990.96
glycerolME1339691.051.130.771.150.671.000.851.480.931.310.750.720.800.981.060.940.801.421.211.411.111.540.650.711.180.871.041.201.09
oleic acidME1339240.881.250.692.030.900.651.011.440.690.710.911.100.901.071.011.030.691.170.701.451.171.160.930.710.960.671.221.120.95
pentadecanoic acidME1339161.001.380.881.310.861.191.090.750.730.961.031.200.911.191.250.930.880.670.851.031.180.720.960.920.860.711.270.951.03
hypoxanthineME1339560.821.200.470.731.070.900.911.421.071.161.000.721.210.930.610.900.321.700.711.270.771.170.851.541.161.171.051.161.05
uracilME1338780.741.250.671.181.091.080.762.131.271.410.740.401.010.540.260.960.351.610.851.380.421.220.911.531.151.100.951.371.05
asparagineME1340150.741.540.761.051.011.120.810.911.060.940.690.891.020.850.660.860.670.990.941.410.560.531.201.111.041.500.971.251.12
serineME1339000.911.311.001.341.261.100.961.200.890.870.650.931.110.861.050.810.720.971.051.010.661.131.231.370.930.941.051.071.07
threonineME1338880.761.370.891.141.111.070.911.131.050.840.940.821.060.870.910.790.891.080.961.250.661.011.111.211.031.021.001.081.12
alanineME1340240.541.310.780.670.870.900.811.361.131.361.140.741.030.831.010.991.190.891.151.200.720.960.871.581.301.090.921.091.10
valineME1338730.571.640.650.850.980.910.981.351.030.940.740.821.061.010.940.720.801.031.001.311.151.361.001.910.961.091.051.011.10
beta-alanineME1340101.020.981.090.820.520.471.320.671.160.680.740.811.310.740.920.751.150.670.881.001.941.080.951.221.281.361.040.941.02
orotic acidME1339220.820.620.580.860.700.881.231.211.601.190.730.740.890.751.230.741.490.520.840.570.880.490.741.070.811.420.971.280.95
N-methylalanineME1339270.300.011.250.681.041.010.970.631.120.681.300.921.231.100.731.001.441.140.891.770.910.910.911.101.261.510.830.841.06
ureaME1338770.320.290.650.790.981.561.200.681.010.580.890.900.710.900.980.861.050.691.050.941.741.040.951.171.371.880.941.051.01
1,5-anhydroglucitolME1340520.510.291.220.651.521.281.350.920.940.950.681.001.531.400.720.841.231.210.310.321.410.970.750.990.741.231.000.991.02
inositol myo-ME1339501.270.191.010.601.231.241.040.651.121.191.031.040.921.021.020.911.420.940.750.521.681.210.610.650.680.911.011.141.05
oxalic acidME1339211.310.191.260.791.101.101.200.610.890.701.060.971.081.151.231.371.200.771.100.650.980.481.070.410.830.850.710.921.26
pantothenic acidME1339181.040.450.641.090.980.981.510.560.900.891.021.141.061.191.400.980.941.250.520.800.940.791.050.590.900.950.890.920.99
threitolME1338900.810.340.740.561.101.401.170.491.040.510.821.070.961.031.370.820.810.860.700.771.001.221.531.161.280.970.920.961.02
glutamineME1339710.690.880.620.661.011.230.910.590.940.710.871.681.110.870.931.030.740.921.091.090.650.681.150.661.001.001.090.920.93
glucuronic acidME1339730.650.960.660.930.911.211.120.590.950.740.541.140.681.521.160.900.970.851.620.861.410.701.070.791.150.980.811.160.94
erythritolME1339900.540.410.900.830.991.001.090.851.130.480.851.230.751.041.330.940.900.851.460.901.450.820.880.331.170.800.951.090.93
pseudo uridineME1339080.390.550.630.660.820.851.090.781.140.630.671.100.831.010.980.980.851.061.131.271.380.921.260.661.160.721.030.970.99
glyceric acidME1339701.400.310.901.611.140.860.780.731.142.151.370.630.740.700.601.121.591.161.091.140.591.100.730.621.601.150.890.981.09
taurineME1338911.090.711.510.850.770.810.880.711.410.980.690.671.190.980.420.911.841.491.181.021.081.220.920.690.961.960.760.931.06
threonic acidME1338891.150.181.471.010.950.640.940.571.241.380.940.891.220.910.781.281.811.160.900.990.830.591.110.441.091.210.770.841.04
succinic acidME1338940.770.180.831.390.890.910.890.691.120.480.460.780.710.810.491.100.981.031.660.711.160.770.780.380.880.270.871.930.99
fumaric acidME1339791.120.321.061.251.500.961.000.931.001.410.391.211.311.090.970.900.970.701.261.141.800.350.870.701.021.120.571.310.92
malic acidME1339380.860.420.761.341.151.130.810.931.031.530.630.840.940.620.501.181.351.062.051.381.120.550.890.520.991.330.631.330.99
3-phenyllactic acidME1340380.720.710.360.680.530.960.620.500.950.441.090.630.500.762.100.571.010.700.690.630.680.440.800.650.750.671.442.611.06
icosenoic acidME1339550.901.590.491.731.031.120.980.990.710.650.380.890.620.992.260.890.650.771.100.580.980.770.910.800.430.511.541.720.77
uridine-5^-monophosphateME1338741.840.210.611.800.652.430.920.130.850.600.990.780.690.742.260.950.910.640.730.760.670.581.020.591.771.421.531.050.75
glycerol-beta-phosphateME1339661.760.490.801.530.941.031.000.670.861.221.420.920.831.062.541.051.250.980.850.910.962.560.870.611.251.110.901.070.76
maleimideME1339391.491.761.241.280.961.250.980.630.751.171.481.060.730.882.070.970.720.680.760.630.600.800.911.251.431.311.121.140.84
erythronic acidME1339890.801.320.701.210.901.090.900.531.181.092.140.830.951.041.941.011.290.980.861.160.651.110.910.820.941.720.991.020.79
FADME1339851.371.350.761.380.901.680.891.101.001.872.740.840.620.842.270.861.341.060.831.430.730.940.740.640.871.511.040.960.76
1-monopalmitinME1340501.001.100.591.940.911.360.811.340.881.172.730.890.850.531.830.980.690.670.880.920.851.480.840.581.240.811.211.200.85
2-monooleinME1340431.001.510.542.170.861.141.100.680.830.872.170.910.560.831.780.850.760.610.661.151.230.790.780.611.260.811.211.340.79
adenineME1340281.001.150.651.760.611.310.760.601.160.911.860.900.550.632.001.191.010.621.261.220.660.520.820.641.161.080.811.400.91
levoglucosanME1339421.190.430.560.800.701.141.260.831.301.051.451.510.610.591.761.310.830.490.840.700.720.530.740.440.950.770.870.870.92
pyrophosphateME1339060.570.190.721.190.950.951.000.771.031.072.171.030.840.751.271.171.310.661.520.810.460.621.250.501.040.671.150.990.86
thymineME1338870.931.870.500.870.841.080.870.860.870.941.081.060.641.122.590.821.211.140.961.900.800.521.000.701.061.281.031.060.91
5-hydroxynorvaline NISTME1340311.120.800.830.810.991.231.010.601.120.751.431.050.750.942.161.120.890.811.081.280.790.561.000.871.080.940.900.920.94
homoserineME1339590.770.580.930.760.911.210.930.520.960.861.410.930.761.162.550.941.000.811.211.610.690.720.990.690.921.300.901.051.14
phenylpyruvic acidME1339130.780.890.550.930.931.080.900.721.060.891.280.760.800.831.460.960.980.941.191.220.750.831.220.951.151.081.250.981.00
pipecolic acidME1339100.860.840.640.600.680.930.840.750.890.931.121.001.001.041.701.101.310.940.941.120.930.840.890.851.101.261.001.111.15
glycocyamineME1339640.820.970.740.920.891.050.840.530.710.861.110.941.020.811.611.040.921.321.102.160.871.030.870.770.981.490.981.101.14
N-acetyl-D-mannosamineME1339291.381.020.711.330.800.980.790.761.170.821.190.680.890.811.561.001.421.800.901.681.071.250.720.871.221.200.831.110.90
phosphoric acidME1339111.850.741.141.510.981.780.970.561.030.861.000.880.780.851.391.161.200.971.600.990.920.630.790.660.870.390.861.170.84
fructose 1 phosphateME1339830.910.960.651.281.081.841.050.630.870.630.900.750.780.741.701.220.640.721.630.840.941.051.481.150.691.191.091.050.85
inositol-4-monophosphateME1339491.170.430.851.321.161.481.050.490.510.780.960.960.800.832.311.020.820.671.460.571.240.611.061.070.830.691.840.960.79
dodecaneME1339920.690.350.711.771.091.321.010.380.680.721.741.231.130.963.011.321.270.900.820.910.860.531.160.420.730.581.220.970.71
lauric acidME1339441.440.621.311.111.270.770.960.440.960.661.711.360.950.661.341.061.050.671.090.900.570.511.250.920.830.521.211.130.70
capric acidME1340081.790.661.160.741.430.961.080.490.740.921.281.411.000.922.271.141.140.680.930.940.770.501.240.870.980.811.090.960.65
caprylic acidME1340071.590.590.790.891.330.921.210.480.750.701.361.391.010.872.270.950.980.801.330.760.890.281.100.970.810.561.040.950.92
pelargonic acidME1339171.670.560.730.851.671.001.090.400.760.770.941.290.801.232.330.971.060.751.460.670.940.471.250.900.880.770.900.990.95
hydroxylamineME1339571.710.400.771.801.091.581.130.850.640.521.641.401.041.073.261.030.920.941.060.741.210.481.160.441.010.741.180.770.60
octadecane-1,12-diol NISTME1339261.670.690.361.641.041.151.060.780.760.660.901.290.751.002.980.821.050.901.040.940.820.581.200.811.050.961.210.960.78
stigmasterolME1338951.940.650.471.621.101.081.100.720.790.921.060.930.651.163.170.970.790.630.651.021.360.841.400.591.000.741.061.110.85
glycolic acidME1339631.820.540.771.320.931.391.030.720.841.391.031.070.880.872.720.831.070.781.130.830.890.821.090.751.060.821.041.030.92
benzoic acidME1340111.470.470.701.381.101.331.120.630.760.661.271.191.030.932.470.961.130.831.020.860.940.651.150.820.880.821.110.980.83
hydroxycarbamate NISTME1339581.730.520.841.551.251.261.161.010.770.761.571.150.950.952.741.121.160.950.910.651.380.610.930.751.040.750.920.920.78
dodecanolME1339911.580.520.831.220.961.341.171.800.730.711.321.480.970.782.021.050.950.841.050.681.200.551.050.710.870.751.100.840.78
palmitic acidME1339191.750.521.022.160.970.911.061.090.800.591.621.281.040.741.651.250.960.911.180.890.790.641.110.650.700.601.020.890.89
isoheptadecanoic acidME1339481.490.610.961.880.871.061.030.970.810.711.511.170.950.832.201.090.950.791.171.180.840.581.100.790.810.691.010.990.92
myristic acidME1339301.460.680.952.000.900.981.001.030.770.801.431.211.060.861.701.111.000.800.961.020.870.751.030.710.920.591.131.030.86
behenic acidME1340121.260.510.931.400.811.250.910.720.790.771.051.010.600.892.361.261.210.500.950.730.960.641.550.720.710.821.331.200.75
1-monostearinME1340491.400.740.751.361.051.341.170.770.790.661.611.170.960.952.161.120.870.801.170.891.140.721.200.810.920.831.291.020.41
cholesterolME1340051.070.790.691.721.051.510.980.650.860.821.721.090.770.952.251.011.010.991.141.100.960.701.270.960.981.091.280.990.47
xanthosineME1338711.150.420.461.000.991.421.050.471.090.700.991.000.780.993.130.880.801.921.160.870.880.730.940.840.871.081.080.980.78
1-hexadecanolME1340511.181.060.400.670.761.601.150.910.641.131.251.110.600.942.920.831.530.641.051.061.600.800.890.811.160.791.181.040.80
2-ketoisocaproic acidME1340440.980.840.420.871.231.110.880.620.750.830.951.120.790.992.940.711.490.561.000.981.310.591.481.240.741.151.281.050.96

Factors:

F1Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F2Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F3Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F4Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F5Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma, multiple primaries | Tumor Present:No
F6Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma, multiple primaries | Tumor Present:Yes
F7Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F8Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:No
F9Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F10Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:Yes
F11Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ bac | Tumor Present:No
F12Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F13Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/BAC | Tumor Present:No
F14Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma w/ BAC | Tumor Present:No
F15Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ bac | Tumor Present:Yes
F16Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F17Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/BAC | Tumor Present:Yes
F18Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma w/ BAC | Tumor Present:Yes
F19Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F20Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F21Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F22Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F23Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F24Sex:M | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:No
F25Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F26Sex:M | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:Yes
F27Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F28Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F29Sex:- | Smoking Status:- | Diagnosis:- | Tumor Present:-
Data matrix
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