Clustering data with hclust algorithm for (Study ST004133)

HILIC NEGATIVE ION MODE (Analysis AN006852)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61F62
cinnamoylglycineME11009363.310.015.62NA4.01NANA4.840.010.010.030.020.010.05NA0.020.010.010.01NANANA0.01NA0.030.01NA0.02NANA0.030.036.860.035.31NA0.017.685.270.020.010.01NA0.010.030.240.010.02NA0.01NANA0.02NA0.020.060.20NA0.010.010.020.01
hippurateME11009656.890.346.680.345.880.210.424.320.230.160.110.330.060.100.230.180.090.200.090.050.060.260.540.370.160.100.200.110.080.150.280.366.500.316.330.140.474.147.170.140.140.29NA0.120.290.260.350.18NA0.11NA0.230.470.400.160.100.180.110.240.160.290.18
IMPME11009720.453.430.420.030.140.020.540.440.050.290.301.291.671.950.082.450.850.641.130.510.350.200.931.2212.320.620.87NA0.513.350.57NA0.201.860.312.560.100.125.260.110.070.02NANA0.421.720.45NANA0.14NA0.650.130.260.15NA0.490.050.480.130.550.20
indoxylsulfateME11009752.960.220.762.850.710.080.410.260.250.010.830.010.660.170.05NA0.13NA0.011.150.260.160.210.04NANANANANANANA0.023.771.823.332.002.577.541.500.400.020.00NA0.010.045.66NA0.01NA0.04NA0.030.050.01NANANANANANANANA
mucate/saccarateME11009881.780.171.040.701.733.29NA6.05NANANANA0.150.210.220.13NANA0.230.340.09NANANA0.140.840.310.220.22NA0.350.231.870.521.371.900.1910.711.170.840.120.94NA0.240.60NANA0.11NA0.39NANANA0.100.160.440.171.130.53NA0.090.96
butyrateME11009310.360.300.300.290.480.270.310.180.300.260.360.400.430.620.310.270.210.250.250.150.340.170.390.230.460.430.340.330.450.420.416.831.738.532.061.133.181.124.381.133.020.62NA1.860.600.712.240.87NA0.45NA0.471.310.850.760.470.860.781.260.270.610.63
isovalerate/valerate/methylbutyrateME1100978NA0.460.230.330.440.270.560.150.600.510.700.591.031.020.650.490.390.260.200.250.420.180.880.310.530.630.830.430.660.100.366.100.365.281.370.301.920.171.950.566.330.80NA3.090.480.634.920.53NA0.36NA0.720.861.130.700.650.780.531.090.310.690.90
ascorbateME11009261.370.771.501.252.060.872.041.540.190.220.190.700.350.490.180.310.473.280.230.170.250.588.160.240.190.150.210.160.301.642.580.671.480.932.300.722.351.921.250.330.400.20NA0.350.210.210.703.17NA0.15NA0.364.710.260.320.190.170.290.180.981.360.19
CMPME1100939NA0.200.33NANA0.210.120.080.07NANANA0.130.540.140.13NA0.070.350.320.030.090.190.763.420.370.250.02NA0.810.090.702.750.810.033.132.420.720.030.712.711.15NA0.95NA0.420.820.30NA2.65NA0.422.803.360.970.820.400.101.594.071.405.05
taurocholateME11010110.000.010.040.000.240.320.050.000.000.000.010.011.451.880.010.360.000.010.002.900.010.970.000.040.320.010.050.020.115.490.040.450.690.221.430.440.410.410.970.391.341.00NA1.140.040.181.650.48NA3.61NA1.000.422.381.123.532.071.663.917.092.394.20
taurodeoxycholate/taurochenodeoxycholateME11010120.020.040.050.010.200.350.070.020.030.010.030.042.433.300.060.340.010.040.021.640.020.840.020.070.240.030.040.050.093.080.060.561.140.382.170.730.730.561.730.682.792.11NA1.660.270.342.420.74NA1.98NA1.040.713.071.342.251.590.904.114.082.383.32
methylcysteineME1100986NA0.73NA0.090.100.110.190.04NA1.680.791.092.594.560.530.622.642.553.900.753.770.340.150.761.613.150.801.673.52NA0.250.24NANANA0.140.14NANA0.530.740.41NA0.850.04NA0.040.30NA0.06NANA0.411.370.400.06NA0.300.10NA0.700.17
2-isopropylmalateME11009052.192.051.980.951.651.473.391.080.330.300.410.260.190.250.340.290.270.150.761.931.050.210.771.130.310.220.240.250.230.680.643.193.811.342.471.765.121.773.730.280.410.34NA0.340.570.650.460.22NA1.46NA0.160.661.090.170.260.430.380.560.530.510.36
hypoxanthineME11009700.110.420.923.890.811.991.831.281.432.042.240.021.851.021.020.090.840.182.070.983.700.041.441.732.051.940.511.741.380.960.670.030.220.170.650.980.470.280.060.29NANANANA0.541.42NANANANANANANA0.010.01NA0.330.280.06NANANA
inosineME11009760.380.320.704.270.591.161.081.081.771.253.690.083.421.590.950.071.260.242.211.185.130.111.451.631.692.020.451.300.910.800.610.000.250.110.530.460.250.180.100.10NA0.00NANA0.062.22NANANANANANANA0.00NANA0.230.120.000.01NANA
furosemideME1100951NANANANANANANANANA0.811.672.070.210.871.020.751.61NA1.262.300.670.88NA0.481.454.400.121.380.850.690.26NANANANANA0.21NANA0.250.950.26NANA0.100.650.62NANA0.50NANANA0.45NANA2.471.86NA0.420.820.65
eicosapentaenoateME11009465.342.772.252.473.482.232.032.190.570.850.930.350.831.250.930.681.010.480.731.231.120.260.570.530.850.770.521.240.650.760.801.730.751.150.960.930.700.662.180.280.680.54NA0.400.330.600.290.30NA0.77NA0.160.370.300.660.520.680.240.340.430.520.88
sucrose/lactose/trehaloseME11010090.410.590.580.520.461.300.440.691.080.790.350.870.540.390.650.380.400.980.340.260.300.652.022.110.570.341.050.270.490.981.220.390.895.250.463.261.481.631.181.480.960.78NA0.361.201.000.931.20NA0.26NA0.662.562.840.470.890.931.002.420.641.380.46
DHAP/glyceraldehyde 3PME11009441.291.232.590.371.332.510.950.750.300.640.610.970.450.470.970.680.560.411.090.750.910.630.410.761.632.090.980.990.941.071.021.053.230.691.341.000.871.503.790.540.830.83NA0.091.630.730.780.35NA0.43NA0.090.190.821.230.432.451.240.620.740.510.66
pentose monophosphateME11009961.200.931.291.291.211.420.961.341.411.141.750.691.972.261.401.001.601.491.941.521.900.891.411.702.011.631.331.461.111.641.260.340.540.611.300.870.600.601.020.400.390.38NA0.200.341.600.230.20NA0.32NA0.190.290.370.430.241.610.510.360.390.230.28
UMPME11010181.621.651.581.031.131.391.721.590.781.071.481.241.411.332.001.561.181.951.851.141.441.291.091.622.211.961.311.231.471.151.470.170.440.391.690.560.390.152.110.100.400.10NA0.110.091.880.070.01NA0.38NA0.020.410.470.360.112.350.070.290.310.240.38
AMPME11009241.541.591.831.111.121.461.701.710.771.241.631.281.441.391.731.551.382.221.871.091.611.321.051.681.711.991.301.491.680.991.420.540.380.181.720.110.310.122.240.160.300.22NA0.140.181.380.160.12NA0.19NA0.130.320.340.650.052.190.170.170.190.210.23
GMPME11009591.501.551.620.891.201.541.541.550.661.121.391.321.241.361.941.481.251.961.711.091.621.230.941.601.811.891.211.621.790.881.280.730.23NA1.80NA0.130.112.500.130.330.26NA0.090.161.560.130.11NA0.20NA0.090.260.371.030.042.310.150.000.130.190.18
azelateME11009300.520.420.660.520.740.600.360.930.560.671.070.411.081.020.630.420.800.501.220.780.720.471.090.900.840.560.480.740.510.750.680.631.742.022.371.300.721.051.861.141.471.32NA0.971.312.170.920.78NA1.01NA0.590.891.070.821.342.351.083.460.571.071.31
sebacateME11010041.320.741.420.632.300.940.700.680.460.590.680.510.760.870.570.510.850.520.730.700.740.940.720.590.980.690.470.710.510.800.630.882.221.373.281.601.070.992.020.961.301.02NA0.881.231.250.940.79NA0.93NA1.060.760.831.031.081.410.921.800.680.861.57
cytidineME11009431.160.591.731.891.441.411.681.120.901.351.570.911.340.870.960.511.570.081.692.051.701.471.760.931.671.650.471.291.011.541.080.161.291.070.350.800.740.250.940.210.790.26NA0.320.520.330.980.04NA1.28NA0.661.510.321.520.260.990.660.461.080.131.71
5-dodecenoateME11009130.700.320.410.140.540.300.330.230.821.921.630.600.560.662.200.801.341.101.862.762.081.320.801.141.791.740.652.131.021.221.150.250.320.100.340.200.270.220.290.560.582.17NA0.761.641.550.601.01NA2.39NA1.160.721.110.930.491.741.050.631.100.761.80
2-aminooctanoateME11009021.161.331.251.341.190.981.390.731.061.741.900.860.870.761.690.991.171.121.281.921.621.051.450.941.581.050.621.470.760.720.940.870.720.910.740.670.940.390.700.490.531.31NA0.751.091.240.720.81NA1.40NA0.800.760.680.590.501.120.600.800.350.581.06
10Z-heptadecenoateME11008992.801.170.840.651.040.830.800.450.821.712.230.411.260.991.760.641.191.042.202.052.150.470.590.691.931.350.542.900.771.071.410.800.220.260.310.320.300.131.230.230.691.08NA0.760.881.180.300.89NA2.20NA0.300.570.510.680.431.710.280.390.811.171.60
heptadecanoateME11009621.640.990.820.651.070.610.740.460.951.631.810.530.971.131.450.620.991.041.161.821.710.600.820.901.541.130.651.960.861.181.350.900.420.620.580.490.490.281.140.450.901.12NA0.831.131.400.581.11NA2.00NA0.530.830.760.900.751.730.530.721.041.231.77
docosapentaenoateME11009452.711.581.150.871.651.011.080.971.051.441.660.511.171.661.520.921.380.821.182.101.970.660.880.791.441.150.741.680.861.531.000.910.350.370.460.430.340.261.110.331.020.77NA0.690.490.900.440.61NA1.66NA0.480.720.560.950.770.980.330.621.020.781.52
pentadecanoateME11009952.551.911.420.851.360.921.300.580.781.311.510.600.931.081.150.580.950.811.311.641.530.690.700.901.411.030.641.730.861.161.241.220.581.030.750.740.770.481.240.490.810.87NA0.790.821.170.600.74NA1.35NA0.490.670.600.650.601.460.530.820.971.081.24
corticosteroneME11009401.500.941.280.550.700.610.420.901.031.392.060.701.161.981.890.950.581.081.342.161.540.411.050.522.181.151.321.700.571.581.170.510.980.030.340.490.360.640.950.871.031.82NA0.730.641.470.410.61NA1.86NA0.460.650.420.321.081.020.570.721.160.841.61
indolelactateME11009741.540.571.080.760.990.560.710.870.770.931.370.751.211.320.990.380.870.500.682.881.690.860.950.671.451.641.081.390.651.760.810.341.580.291.460.651.191.441.160.810.850.86NA0.480.791.880.630.50NA1.85NA0.470.740.540.461.421.050.770.971.260.501.42
6-phosphogluconateME11009140.290.231.120.330.942.110.141.010.721.150.341.670.381.731.471.660.350.911.211.560.390.881.061.121.910.651.441.891.640.791.400.532.531.440.641.771.340.901.111.040.890.78NA0.370.790.660.710.28NA0.78NA0.530.820.860.740.680.911.281.530.850.980.77
pyruvateME11010020.881.930.910.660.690.891.201.680.890.650.771.220.871.040.571.050.901.120.851.250.601.550.990.820.590.710.660.690.541.900.761.320.850.850.560.320.550.710.360.292.070.30NA0.580.420.532.040.72NA1.10NA1.411.841.661.951.190.660.520.562.121.572.13
kynurenineME11009790.200.992.190.701.111.560.921.782.060.720.202.020.641.071.210.770.461.171.080.661.301.280.981.780.421.121.471.401.172.041.930.781.000.580.840.830.940.740.640.560.960.76NA0.410.570.541.080.72NA0.41NA1.110.871.470.260.570.801.220.871.471.200.41
alpha-glycerophosphateME11009210.710.671.361.070.651.961.030.701.770.670.810.910.710.870.890.770.850.701.310.781.000.600.771.161.431.871.540.771.201.191.250.571.571.051.021.862.011.120.971.030.700.86NA0.630.851.490.750.54NA0.64NA0.550.700.890.820.671.011.530.640.930.660.97
succinateME11010081.590.611.331.611.601.281.251.101.581.681.330.891.100.731.160.281.240.411.471.121.520.741.240.811.181.420.821.521.261.031.110.391.530.721.630.941.381.421.150.780.460.90NA0.281.221.490.590.26NA0.45NA0.350.780.460.740.540.870.770.590.840.580.83
uracilME11010191.400.641.341.391.261.341.130.981.281.411.170.941.070.941.100.541.050.531.021.391.851.000.920.761.191.420.981.591.400.841.180.301.610.731.401.381.420.811.281.090.521.00NA0.391.351.390.770.26NA0.64NA0.460.720.391.060.400.911.210.670.530.380.88
uridineME11010201.360.651.341.461.331.461.180.961.251.391.180.911.030.891.110.511.120.521.021.311.880.940.960.781.271.480.981.501.340.781.200.291.620.711.431.371.500.861.351.110.511.03NA0.361.331.440.800.26NA0.59NA0.440.700.390.960.350.881.360.660.460.360.84
4-pyridoxateME11009120.600.781.730.911.041.431.611.130.450.400.750.470.610.901.111.120.590.470.891.410.890.910.510.611.951.590.861.460.921.281.090.792.250.602.171.162.501.521.251.350.701.56NA0.871.031.980.380.35NA0.81NA0.500.410.480.590.410.921.220.200.760.561.22
adonitol/arabitolME11009180.991.141.131.121.071.100.901.280.810.610.730.930.720.790.650.740.720.720.641.130.810.920.800.660.830.770.740.870.721.170.901.121.831.141.831.921.612.201.391.220.761.17NA0.741.121.200.890.69NA1.10NA0.910.770.670.830.730.921.220.941.260.880.84
N-acetylglutamineME11009921.101.351.611.541.371.811.291.831.060.510.571.160.590.680.730.790.520.770.680.740.610.561.101.011.051.071.340.670.730.991.201.012.010.781.931.401.742.691.240.970.630.77NA0.560.711.181.000.57NA0.61NA0.440.850.770.470.680.731.180.880.700.740.75
sorbitolME11010060.650.680.960.701.620.790.680.881.230.760.790.760.930.640.620.780.850.761.081.000.840.891.611.050.960.770.631.061.070.980.860.650.782.151.141.040.640.780.860.510.730.55NA1.101.190.641.081.16NA0.71NA3.351.671.161.551.170.991.071.281.080.921.17
caproateME11009330.350.750.510.390.600.730.690.501.181.251.020.970.821.191.320.960.761.060.780.300.970.841.020.710.951.171.410.981.280.431.241.000.410.410.490.130.900.130.431.121.981.83NA1.481.430.821.681.55NA0.60NA1.281.781.441.070.201.401.801.241.022.062.20
4-methylcatecholME11009110.620.940.740.860.940.931.160.870.981.240.951.061.011.221.261.090.820.970.870.211.090.591.110.951.181.141.310.901.130.531.041.070.590.941.220.501.160.420.591.321.451.45NA1.221.841.131.231.18NA0.48NA0.681.200.911.090.540.971.341.290.801.221.47
gemfibrozilME11009530.660.720.680.630.700.760.640.741.070.880.800.811.231.431.130.900.820.820.640.240.820.491.080.630.610.971.500.530.910.251.120.880.770.530.710.581.230.800.561.942.221.96NA1.621.371.141.441.31NA0.47NA0.751.701.451.460.970.711.701.680.611.491.75
aspartateME11009280.520.840.750.570.470.440.590.430.750.600.730.760.460.820.700.760.850.830.730.510.810.791.241.321.150.870.830.570.570.921.132.431.601.871.090.772.181.001.631.301.091.08NA0.871.310.851.300.96NA0.72NA1.041.211.331.380.981.471.911.021.041.171.12
glutamateME11009540.430.640.780.740.540.600.640.520.790.590.910.680.630.860.750.500.890.720.870.950.890.811.341.281.650.840.710.650.751.731.121.291.451.051.310.211.511.241.980.861.230.94NA0.761.281.231.520.88NA0.79NA0.791.401.371.711.171.421.160.811.301.141.37
quinolinateME11010030.490.700.740.680.600.770.920.591.480.651.061.861.061.461.240.520.491.540.650.800.910.370.911.101.221.081.310.971.330.861.900.601.000.640.591.431.360.840.511.391.131.23NA0.490.731.241.631.44NA0.62NA0.361.020.920.451.580.851.431.680.881.621.07
aconitateME11009160.680.710.650.520.600.600.710.710.650.630.700.650.600.590.690.520.680.640.830.830.780.680.640.660.840.740.700.850.530.860.691.111.481.240.671.211.621.580.601.221.391.36NA1.181.140.591.421.32NA1.72NA1.331.611.691.191.620.961.281.582.041.692.02
2-hydroxyglutarateME11009040.520.740.550.440.710.480.640.580.670.550.890.860.760.901.010.480.810.700.721.981.010.810.791.041.271.030.930.790.671.480.860.690.981.170.711.141.311.140.780.980.841.30NA0.850.991.011.311.09NA2.34NA1.171.271.120.781.410.991.131.392.191.351.89
mesaconateME11009840.550.790.590.490.750.540.680.640.680.550.870.870.780.901.030.540.790.730.751.910.980.830.831.061.241.000.940.780.681.480.890.740.971.170.731.151.301.100.810.960.851.23NA0.850.971.011.281.06NA2.21NA1.171.241.100.821.410.981.131.372.101.331.80
4-hydroxybenzaldehydeME11009100.481.471.090.720.960.961.271.851.210.900.701.500.620.880.940.950.791.380.840.960.652.271.421.100.620.701.021.020.840.831.201.400.700.470.700.271.060.730.450.530.950.92NA0.921.050.441.631.22NA0.95NA2.291.641.330.860.470.960.960.681.101.350.84
imidazolelactateME11009710.860.821.021.111.121.141.301.701.450.750.741.230.610.750.571.071.061.031.120.570.571.131.160.991.210.952.060.941.141.541.800.790.630.930.530.770.881.140.760.370.570.41NA0.880.690.761.351.07NA0.52NA0.921.130.841.001.660.951.060.791.381.541.18
prolineME11010000.631.140.821.240.640.731.101.291.930.930.601.550.590.540.540.540.661.140.650.610.491.402.311.020.610.541.410.550.601.080.921.490.651.370.440.650.910.800.560.370.640.43NA0.600.590.502.571.37NA0.64NA1.552.701.910.912.190.720.541.661.241.230.96
tyrosineME11010170.540.860.671.170.600.690.851.261.650.920.661.850.760.780.590.740.971.410.570.770.621.991.691.380.720.541.110.690.981.551.240.870.861.030.540.720.881.140.510.750.790.51NA0.720.670.811.771.40NA0.66NA1.831.621.720.861.510.630.951.251.331.200.63
alanineME11009200.751.060.841.240.721.051.151.061.630.780.881.060.930.830.600.670.981.030.850.610.620.971.611.070.800.801.340.720.961.221.221.350.611.450.410.860.970.700.600.641.180.41NA0.860.470.611.641.23NA0.59NA1.101.801.461.161.640.770.791.341.451.721.16
asparagineME11009270.571.120.711.070.580.761.101.131.580.920.731.250.870.810.660.720.871.130.720.650.661.321.480.970.840.611.290.680.741.601.181.790.471.090.340.490.810.620.410.521.150.45NA0.840.540.482.071.36NA0.61NA1.601.651.801.242.060.730.531.131.691.851.35
methionineME11009850.841.301.001.550.850.971.371.801.920.920.671.590.830.800.550.890.971.300.790.630.531.321.771.280.620.581.160.630.841.001.051.270.621.570.530.870.991.180.580.490.660.45NA0.870.560.471.911.34NA0.53NA1.291.541.740.781.440.520.641.220.961.040.61
threonineME11010140.711.230.931.210.780.821.381.372.271.201.141.480.950.830.821.000.931.260.930.550.790.951.451.140.880.661.340.820.950.891.241.280.691.120.470.641.060.930.470.720.830.64NA0.880.710.721.591.20NA0.46NA0.991.391.350.861.410.710.781.160.841.420.77
lysineME11009810.761.021.011.240.850.911.021.161.650.950.771.401.110.960.681.020.891.191.150.790.721.141.581.480.750.731.370.810.911.171.140.911.111.080.700.810.850.850.670.730.890.55NA0.960.600.661.591.15NA0.65NA1.031.441.820.741.380.730.761.171.141.070.66
serineME11010050.731.120.851.300.720.941.191.161.411.050.821.301.131.040.711.011.121.241.040.740.771.491.671.220.800.721.220.761.001.251.271.240.471.290.360.630.830.590.470.571.030.47NA1.000.560.511.721.31NA0.59NA1.401.431.611.021.430.640.641.081.201.280.85
alpha-keto-beta-methylvalerate/alpha-ketoisocaproateME11009220.611.630.720.830.640.851.191.411.310.530.981.231.241.090.651.311.001.280.630.810.481.171.271.020.900.670.940.620.971.451.041.730.291.020.210.480.440.370.450.291.390.32NA1.310.360.711.521.60NA1.24NA1.731.631.431.331.840.750.521.191.771.531.10
thymineME11010150.661.311.521.320.560.991.211.241.100.971.141.171.301.130.871.241.101.261.281.221.051.420.981.150.751.080.810.970.781.170.851.400.921.130.220.710.840.670.410.551.000.65NA1.400.450.491.211.17NA1.19NA1.360.991.480.961.100.840.510.961.150.900.77
aminobutyrateME11009230.491.030.750.670.640.771.100.660.800.880.970.880.871.360.870.771.200.861.121.250.961.280.940.911.301.240.932.001.181.711.070.920.700.560.560.710.970.550.440.771.220.79NA0.770.790.910.980.79NA1.25NA1.230.821.060.911.012.541.340.751.811.021.35
lactateME11009801.091.131.231.721.271.351.371.531.481.301.291.111.100.931.060.511.050.541.041.181.341.131.341.060.871.181.110.951.361.021.110.791.161.040.920.981.331.460.760.910.630.53NA0.430.701.170.860.43NA0.55NA0.560.970.640.780.790.571.130.881.000.670.61
N6-acetyllysineME11009901.321.631.681.681.031.261.481.830.970.960.910.940.950.860.770.730.860.851.200.930.940.851.080.930.940.931.101.090.671.071.001.251.540.960.921.081.381.660.940.840.770.70NA0.800.650.760.810.63NA0.89NA0.720.900.950.590.830.950.630.860.910.860.81
arginineME11009251.281.281.271.731.501.171.731.831.211.151.061.381.361.371.211.111.151.121.441.241.201.131.421.390.851.291.181.181.161.341.130.880.580.300.980.310.670.590.640.450.880.48NA0.670.360.541.120.71NA0.49NA0.650.841.210.641.010.860.440.590.920.650.64
cystineME11009421.191.411.141.351.181.041.481.421.161.161.310.861.390.961.471.141.360.981.430.661.350.551.491.241.271.170.861.090.830.560.901.340.691.300.730.940.700.880.490.720.791.00NA1.120.810.830.890.99NA0.63NA0.560.801.180.650.910.690.711.100.610.650.89
glutamineME11009551.161.461.281.340.991.321.311.391.041.071.351.251.341.281.251.051.081.061.301.161.361.221.431.241.221.351.231.131.121.181.271.000.680.800.540.880.980.650.700.820.670.80NA0.720.590.950.770.66NA0.66NA0.760.870.850.470.630.720.900.830.580.690.56
2-hydroxy-3-methylpentanoate/hydroxyisocaproateME11009030.590.640.560.650.640.510.650.670.731.071.291.031.061.291.250.950.801.181.131.911.381.081.020.871.361.161.181.600.920.820.820.820.480.560.780.470.830.590.790.981.041.86NA0.981.051.460.951.18NA1.68NA0.981.401.031.150.921.270.621.100.830.881.53
hydroxyisovalerate/2-hydroxy-3-methylbutyrateME11009690.820.540.670.540.690.560.640.700.731.171.200.930.941.161.490.970.741.151.311.631.360.990.921.111.201.171.211.290.950.820.910.660.630.450.830.580.750.690.991.071.061.98NA1.011.281.340.871.12NA1.61NA0.931.121.240.921.051.120.791.220.910.991.31
taurineME11010100.760.941.030.780.600.820.750.841.290.851.191.191.021.111.101.091.030.991.431.451.030.951.211.381.961.441.270.881.111.651.260.820.740.890.370.820.450.500.770.680.890.91NA0.820.801.011.030.83NA1.28NA0.810.951.010.780.890.921.170.981.161.011.34
2-aminoadipateME11009010.600.760.810.781.050.990.970.811.591.361.281.360.961.011.081.011.221.341.381.331.361.021.381.401.291.151.191.200.980.861.270.650.810.390.920.420.830.690.580.870.840.96NA0.771.151.371.161.02NA0.87NA0.730.971.221.010.741.180.860.720.710.840.97
3-methylhistidineME11009080.391.070.451.070.450.780.930.820.831.310.941.371.061.261.101.190.971.301.061.341.120.891.831.221.191.201.121.171.110.971.330.850.350.760.410.680.840.540.400.881.010.93NA1.200.980.811.301.02NA1.41NA0.751.561.360.850.991.181.021.040.981.120.95
N1-methyl-2-pyridone-5-carboxamideME11009891.000.741.451.190.890.910.871.250.990.791.110.891.261.271.061.190.820.840.610.470.960.320.770.901.061.031.480.860.910.641.020.731.850.960.901.010.911.531.141.361.201.18NA1.250.911.201.040.84NA0.45NA0.360.840.970.861.890.831.081.350.641.001.18
adipate/methylglutarateME11009170.720.870.800.660.800.950.750.740.830.760.850.820.760.840.710.600.730.720.780.940.820.780.910.690.980.740.790.910.861.030.930.811.331.171.121.081.321.771.041.221.161.10NA0.921.111.481.241.06NA0.88NA1.041.401.131.131.270.961.051.311.971.331.55
3-methyladipate/pimelateME11009070.910.860.940.731.161.000.870.810.830.740.870.720.880.910.750.610.670.700.800.930.790.730.950.730.920.670.700.760.780.820.970.951.611.221.811.121.271.991.361.071.201.11NA0.891.191.461.191.03NA0.97NA0.821.300.860.810.941.271.041.820.851.111.22
suberateME11010070.750.810.800.640.850.780.690.930.750.870.940.740.950.940.830.610.710.790.880.940.830.700.990.831.000.700.720.950.780.840.970.791.421.381.531.110.840.991.331.031.361.26NA0.991.311.581.091.18NA1.07NA0.861.051.070.891.121.451.112.370.801.171.35
methylsuccinateME11009870.891.090.850.991.201.001.080.831.121.250.930.900.950.910.800.590.990.741.071.071.110.861.280.920.870.710.950.780.911.021.060.861.321.201.441.021.261.081.210.890.940.79NA0.621.491.010.780.74NA0.85NA0.862.001.681.490.650.980.870.930.910.690.72
tryptophanME11010160.900.690.931.100.740.630.810.751.350.861.121.031.190.990.960.600.930.951.051.491.351.091.191.011.051.031.091.011.141.421.030.561.520.901.081.251.021.090.841.090.800.99NA0.580.821.700.810.83NA0.87NA0.870.820.910.661.730.901.141.041.000.860.83
fucoseME11009490.811.120.721.310.771.221.320.720.720.760.860.860.790.820.720.861.181.271.111.120.851.241.231.100.911.001.200.991.040.941.051.080.621.320.661.241.290.670.700.640.850.72NA0.980.590.720.901.33NA1.15NA1.281.341.371.101.451.030.971.021.061.171.08
pantothenateME11009940.630.950.971.340.771.090.991.201.180.720.731.261.281.240.771.170.970.870.821.190.781.061.431.081.170.781.150.721.031.631.251.130.731.180.580.840.880.800.590.831.030.68NA1.030.660.851.310.90NA1.05NA0.881.501.191.101.090.690.831.071.161.071.13
isoleucine/leucineME11009770.780.951.131.030.700.920.930.931.361.030.860.920.840.770.860.710.870.860.770.780.950.871.130.971.140.911.130.930.881.010.881.061.571.240.691.151.090.900.801.070.880.91NA0.771.001.171.390.94NA0.68NA0.991.231.520.821.410.961.261.411.171.021.12
valineME11010210.761.041.060.930.760.861.041.011.701.000.861.130.840.800.800.750.911.100.760.680.850.991.380.971.040.841.280.930.971.081.101.021.310.960.741.031.090.880.740.910.800.80NA0.761.010.981.421.07NA0.58NA1.051.351.250.781.450.971.151.441.131.170.96
histidineME11009660.851.121.051.220.811.071.051.181.361.110.901.221.030.990.810.980.971.020.870.900.831.381.421.051.030.811.180.900.951.361.111.030.911.040.640.880.930.890.640.790.910.63NA0.900.800.771.350.86NA0.77NA1.231.191.210.811.270.830.841.081.271.090.94
phenylalanineME11009980.951.091.221.220.811.021.071.191.240.880.751.210.860.810.860.860.890.950.760.970.801.161.261.040.960.851.110.790.861.250.951.071.421.240.841.111.191.170.830.910.800.85NA0.740.820.991.410.92NA0.79NA1.131.081.300.741.220.721.071.061.200.920.81
1-methylhistidineME11009000.981.601.140.930.921.361.571.250.950.910.861.251.031.240.861.140.991.040.711.160.890.961.080.990.880.980.871.030.991.091.201.360.960.740.791.131.440.990.810.710.950.87NA1.080.770.741.170.98NA0.96NA0.870.911.070.890.750.760.870.641.021.160.76
caprylateME11009340.970.980.990.631.211.520.940.770.841.071.000.981.170.900.970.861.060.880.861.111.091.181.071.091.150.990.970.711.050.890.990.850.861.131.030.961.050.851.150.781.100.84NA0.941.650.801.231.11NA0.85NA1.150.920.981.120.671.031.280.741.091.020.95
citrullineME11009380.881.061.000.850.780.670.951.280.850.870.801.020.820.710.900.920.660.940.960.770.870.850.970.920.901.011.331.070.721.021.021.201.150.900.910.731.171.511.011.041.011.08NA1.030.820.841.130.98NA1.03NA0.871.211.330.911.521.260.771.261.281.481.17
glycerateME11009570.990.861.060.950.960.900.960.911.100.831.021.001.171.230.830.721.080.961.501.050.890.921.110.971.571.031.040.940.901.360.960.720.830.880.670.941.091.070.720.871.030.78NA0.920.690.691.080.98NA0.86NA0.921.221.031.041.260.880.971.221.490.951.42
oxalateME11009931.140.941.030.850.720.790.800.781.110.890.931.071.251.130.831.051.011.151.370.801.041.020.940.990.970.931.291.031.030.830.840.940.881.030.920.831.131.440.961.321.230.97NA1.080.940.950.931.15NA0.93NA0.981.051.091.060.951.021.030.710.991.010.94
malonateME11009830.860.970.890.911.040.890.930.940.960.991.040.900.951.101.141.000.900.910.911.041.160.760.920.861.351.120.991.200.950.820.970.911.040.881.000.731.090.890.821.151.151.18NA1.121.060.950.881.05NA1.12NA0.831.041.001.000.761.261.121.060.931.071.55
glycocholate-d4ME11008980.841.040.920.631.050.991.200.860.910.880.871.011.111.030.931.161.031.090.901.121.000.941.051.021.030.800.920.961.031.071.001.160.690.961.060.800.980.791.020.880.981.00NA1.121.130.871.031.32NA0.98NA1.100.951.131.521.050.960.860.841.131.131.18
caffeateME11009320.960.990.960.960.970.990.960.971.000.980.980.991.000.990.951.000.941.011.030.981.001.000.990.981.000.971.010.991.030.930.960.991.081.071.011.191.050.931.021.130.930.96NA1.080.941.020.900.96NA0.96NA1.060.980.961.001.300.990.951.280.920.950.91
inosine-15N4ME11008970.980.990.990.840.940.930.960.941.070.960.960.970.981.040.931.021.021.021.061.071.041.080.900.920.960.951.050.971.040.930.921.130.841.000.961.121.150.940.981.040.891.10NA1.110.900.931.041.07NA1.01NA1.061.011.081.391.080.890.940.821.021.100.98
thymine-d4ME11008961.081.091.070.970.981.021.091.060.960.940.990.971.041.001.021.081.031.011.021.240.970.971.030.980.970.940.890.970.921.120.991.060.981.060.821.050.910.991.060.860.930.89NA1.020.850.801.090.98NA1.15NA0.980.970.981.121.190.980.830.941.131.000.97
citrate/isocitrateME11009370.950.920.900.740.860.870.940.960.930.900.940.880.810.810.960.720.890.871.101.061.030.890.880.951.191.031.001.090.791.210.991.001.000.930.930.931.161.250.900.911.031.07NA0.940.930.891.060.98NA1.17NA1.011.181.261.021.171.210.961.091.351.211.39
fumarate/maleateME11009500.801.190.850.930.981.021.160.970.960.840.941.000.930.930.920.910.900.960.890.990.891.001.091.101.070.901.000.830.851.211.041.210.931.160.871.041.231.070.870.970.960.86NA0.951.000.891.101.12NA1.05NA1.091.100.990.961.060.971.060.991.221.101.10
malateME11009820.701.250.770.900.941.001.220.930.920.770.920.980.880.890.870.850.850.910.830.970.830.981.121.121.080.850.970.740.771.271.021.320.921.270.821.131.371.140.810.950.960.82NA0.961.020.851.171.18NA1.09NA1.151.161.010.951.120.941.091.001.341.181.17
fructose/glucose/galactoseME11009481.091.041.050.880.961.050.991.031.021.040.990.900.961.061.050.960.981.040.940.780.960.830.730.940.980.961.090.800.990.820.960.901.230.821.271.231.281.451.141.241.001.22NA0.961.351.460.850.98NA0.74NA0.780.721.020.830.920.871.310.960.820.900.88
acetylalanineME11009151.061.201.570.891.031.001.121.260.830.690.950.830.850.820.850.930.870.821.031.220.950.870.910.821.151.070.891.150.631.200.951.011.680.771.201.031.281.331.070.860.830.90NA0.940.681.140.940.78NA1.28NA0.820.881.130.821.031.140.850.851.160.901.25
threitolME11010131.071.261.200.841.460.981.101.170.900.891.140.950.880.961.030.850.700.871.111.200.990.830.760.691.010.980.851.150.830.991.131.041.260.901.471.221.281.310.910.820.911.03NA1.020.731.070.900.77NA1.17NA0.820.800.870.570.941.140.900.961.141.251.01
ethylmalonateME11009471.091.071.000.841.371.051.230.800.750.971.300.800.850.951.170.831.010.961.001.411.201.000.730.801.261.020.741.230.851.201.070.951.050.761.440.911.120.751.030.790.871.12NA0.900.911.250.830.86NA1.39NA0.930.660.840.880.671.300.850.901.201.011.29
glycolateME11009581.221.121.150.871.181.041.030.990.781.061.000.820.790.931.130.820.770.931.081.291.080.990.900.801.071.070.911.060.880.980.971.001.170.781.281.011.001.021.180.910.871.27NA0.841.171.320.940.89NA1.21NA0.940.880.880.790.821.120.991.011.000.921.05
pseudouridineME11010011.121.021.340.931.191.011.081.100.570.861.070.820.990.990.980.920.860.831.101.451.130.850.780.861.091.160.951.090.841.111.060.931.270.821.151.051.121.030.960.870.970.96NA1.010.861.150.910.82NA1.36NA0.790.770.990.760.921.110.930.881.161.071.24
cystathionineME11009411.971.363.250.942.261.111.071.481.170.381.091.270.600.670.280.500.660.230.750.541.551.880.871.070.371.281.510.860.821.751.601.061.900.102.020.250.932.112.310.660.430.22NA0.190.131.270.850.24NA0.15NA0.930.970.970.491.010.450.58NA1.161.270.23
homovanillateME11009671.280.650.981.290.920.720.881.581.170.620.661.040.840.870.620.300.900.820.522.440.891.551.301.130.960.441.130.670.892.570.900.142.590.452.060.891.553.001.050.910.400.55NA0.251.101.980.520.44NA1.10NA0.880.800.720.441.640.360.860.891.160.540.24
glutathione oxidizedME11009560.750.810.910.820.521.940.670.380.820.200.140.860.400.790.550.640.390.850.440.370.350.410.241.241.071.092.180.470.950.521.370.513.481.292.263.184.281.802.412.510.511.33NA0.240.950.810.460.28NA0.40NA0.400.440.660.810.130.922.740.990.700.920.44
hexose monophosphateME11009640.961.230.420.580.590.821.230.541.150.520.380.940.510.740.580.810.660.860.370.510.570.570.740.910.570.891.220.460.221.200.681.031.321.930.704.233.041.620.272.031.181.18NA0.940.990.811.221.01NA0.75NA0.841.251.210.710.680.552.601.101.261.081.06
ADPME11009191.571.761.070.030.461.190.930.710.010.480.061.610.070.011.101.100.020.050.460.010.010.890.00NA0.210.200.350.490.82NA0.351.155.581.690.680.843.840.492.001.741.651.52NA0.781.550.401.430.65NA0.67NA0.862.951.391.110.270.821.371.401.221.341.59
2-phosphoglycerateME11009060.210.600.720.180.411.110.470.470.300.590.220.750.200.750.560.880.190.560.620.330.320.450.220.521.410.530.690.671.340.400.261.592.771.410.691.111.960.972.201.471.551.85NA1.422.150.251.741.53NA1.05NA1.371.491.442.270.731.041.941.341.421.611.69
3-phosphoglycerateME11009090.240.610.790.190.531.050.460.490.270.490.230.830.250.730.510.790.240.610.610.360.360.590.360.731.320.540.640.861.400.390.371.962.721.390.571.101.750.742.161.351.721.56NA1.171.860.331.921.46NA1.11NA1.551.391.332.030.751.121.901.201.691.631.71
hexose diphosphateME1100963NA0.210.22NANA0.39NANANANANA0.11NANA0.010.06NANANANANANANANA0.040.07NA0.020.08NANA1.414.271.46NA1.812.010.610.901.231.351.23NA0.981.84NA1.620.78NA0.67NA1.211.250.971.850.190.491.371.011.161.561.57
PEPME1100997NANANANANANANANA0.14NANANANA0.14NANA0.07NANANANANA0.160.170.04NA0.14NANA1.020.010.692.601.510.012.022.201.45NA1.791.840.58NA1.130.630.071.350.89NA1.04NA0.811.421.461.991.17NA1.571.161.311.181.27
N-acetylglutamateME11009910.160.190.490.250.240.370.250.350.580.320.270.490.180.260.300.190.250.320.320.310.340.270.470.330.640.420.450.320.230.420.440.733.361.430.332.752.563.430.181.611.042.31NA0.993.380.462.421.71NA1.57NA1.482.691.831.321.490.291.701.661.791.792.25
phosphocreatineME11009990.431.710.430.250.450.210.340.660.580.250.071.530.110.400.291.200.500.370.521.020.100.450.450.51NA0.181.040.360.041.070.371.132.231.680.611.891.862.750.560.991.800.92NA1.741.700.771.551.03NA1.69NA1.321.132.841.211.211.601.341.031.931.422.18

Factors:

F1Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:36
F2Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:42
F3Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:45
F4Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:56
F5Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:60
F6Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:61
F7Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:63
F8Sample source:Cardiac Puncture Plasma | Diet:Chow | Antibiotic:- | Injection order:64
F9Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:34
F10Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:35
F11Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:39
F12Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:41
F13Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:46
F14Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:51
F15Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:57
F16Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:- | Injection order:62
F17Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:38
F18Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:43
F19Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:47
F20Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:50
F21Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:52
F22Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:53
F23Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:55
F24Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Met | Injection order:58
F25Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:37
F26Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:40
F27Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:44
F28Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:48
F29Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:49
F30Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:54
F31Sample source:Cardiac Puncture Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:59
F32Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:10
F33Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:13
F34Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:25
F35Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:29
F36Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:30
F37Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:32
F38Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:33
F39Sample source:Portal Vein Plasma | Diet:Chow | Antibiotic:- | Injection order:5
F40Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:14
F41Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:20
F42Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:26
F43Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:3
F44Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:31
F45Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:4
F46Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:8
F47Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:- | Injection order:9
F48Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:11
F49Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:15
F50Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:18
F51Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:21
F52Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:22
F53Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:24
F54Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:27
F55Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Met | Injection order:7
F56Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:12
F57Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:16
F58Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:17
F59Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:19
F60Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:23
F61Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:28
F62Sample source:Portal Vein Plasma | Diet:HFD | Antibiotic:Vanco | Injection order:6
Data matrix
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