Clustering data with hclust algorithm for (Study ST000775)

(Analysis AN001222)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-ME213306NA1.120.57NA1.081.101.80NANANA0.790.730.82NA0.71NANANA0.75NA0.77NA1.74NANA0.94NANA0.870.792.010.41NA
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-ME2133340.660.890.470.691.161.081.091.101.021.131.171.090.971.290.951.010.341.000.911.181.121.130.961.111.101.160.991.190.591.151.141.15NA
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-ME2133320.680.720.790.561.011.441.100.900.711.160.831.191.091.421.151.120.400.641.200.801.201.450.911.870.860.910.681.310.671.211.120.90NA
CORTISONE (CAS# 53-06-5); (M+CL)-ME2133730.470.420.430.481.051.431.041.590.710.580.931.111.02NA0.961.080.350.611.161.050.861.100.781.201.281.521.001.400.621.991.221.54NA
CORTISONE (CAS# 53-06-5); (M+HCOO)-ME2133740.550.470.520.510.951.441.051.500.760.620.921.281.04NA0.961.040.400.721.351.180.871.120.761.291.271.520.931.360.571.531.061.46NA
3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)-ME2133251.520.960.560.958.120.153.080.280.381.380.39NANANA0.10NANA0.610.040.850.150.060.370.110.110.463.351.890.620.040.330.15NA
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-ME2133180.931.970.591.380.880.791.090.861.270.750.831.021.001.300.910.730.411.250.760.830.970.940.760.601.141.021.440.911.121.111.750.72NA
4-NITROPHENOL (CAS# 100-02-7); (M-H)-ME2133350.840.980.660.800.990.940.920.980.840.960.931.242.691.040.870.930.290.930.861.091.041.120.821.081.061.121.011.160.591.151.061.02NA
CORTISOL (CAS# 50-23-7); (M+HCOO)-ME2133720.630.850.630.550.791.141.261.060.560.361.060.861.120.270.810.740.340.621.920.760.851.190.981.501.462.450.961.200.731.661.591.10NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-ME2133113.021.08NANA1.611.270.85NA0.480.490.870.610.901.28NA0.52NA0.581.191.010.691.351.291.630.850.681.460.76NA0.600.330.58NA
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-ME2133451.251.310.400.991.261.161.190.561.070.660.991.030.891.260.84NANA0.730.341.280.870.280.710.861.282.701.341.390.850.471.120.90NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-ME2133280.681.400.540.971.07NA1.25NA0.500.980.67NANANANA0.960.290.691.110.970.681.120.82NA1.102.351.131.910.681.30NA0.83NA
DIACETYL (CAS# 431-03-8); (M+HCOO)-ME2133880.343.190.301.62NA0.410.610.580.431.570.450.590.521.630.760.67NANA0.600.500.552.950.492.520.531.010.673.020.520.770.640.57NA
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-ME2133480.830.570.580.64NA1.161.131.100.601.330.640.850.981.350.740.960.410.610.870.801.271.910.831.690.901.711.371.250.801.260.910.94NA
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-ME2133650.810.920.620.831.031.061.051.061.001.061.091.070.991.080.991.040.471.000.881.101.081.060.941.081.151.131.051.140.801.161.151.13NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-ME2133170.821.280.721.020.991.000.491.030.901.070.500.840.800.910.701.040.130.680.990.921.231.210.772.150.902.021.161.101.071.001.251.29NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-ME2133160.741.060.900.741.281.101.261.190.821.640.841.200.591.230.651.010.320.851.030.831.221.190.941.870.880.980.841.130.621.221.060.78NA
CATECHOL (CAS# 120-80-9); (M-H)-ME2133580.691.010.510.292.780.663.640.661.511.301.530.260.510.630.220.460.130.990.290.950.450.541.02NA0.920.850.682.880.811.321.421.10NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-ME2133640.730.670.491.170.880.940.990.611.241.230.831.431.081.110.851.090.790.771.190.971.030.790.910.791.171.751.130.851.141.001.301.11NA
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-ME2133121.371.840.851.361.391.691.660.960.890.041.060.041.250.821.500.041.121.320.041.400.670.230.820.111.591.351.700.851.420.070.921.64NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-ME2133490.650.610.621.161.021.051.000.731.071.180.831.211.051.090.931.140.910.821.160.951.041.110.860.991.151.171.121.001.011.141.121.13NA
CIS-ACONITATE (CAS# 585-84-2); (M-H)-ME2133630.730.861.680.940.940.810.940.710.701.180.881.550.610.880.691.041.000.601.630.740.841.131.181.140.891.831.160.920.931.110.890.90NA
DECANOATE (CAS# 334-48-5); (M-H)-ME2133810.280.510.680.811.461.181.191.100.801.770.851.010.780.950.801.030.620.661.000.890.841.710.791.221.211.361.251.140.811.210.921.17NA
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-ME2133312.140.141.280.310.31NA3.44NA0.228.980.450.130.210.47NA0.26NA0.270.230.210.870.162.46NANA0.300.210.250.790.401.340.15NA
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-ME2133100.250.840.431.300.801.230.571.231.231.962.051.170.571.290.780.720.240.410.940.950.632.190.371.331.080.94NA2.870.270.780.700.92NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-ME2133141.251.320.401.001.281.171.220.561.080.670.931.040.901.100.91NANA0.740.351.300.880.350.720.721.292.731.361.340.860.481.210.83NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-ME2133400.830.650.761.160.99NANA0.92NA0.970.72NA0.88NA0.95NA0.31NA1.031.280.651.410.691.251.04NA1.471.930.991.280.920.94NA
CORTISOL (CAS# 50-23-7); (M+CL)-ME2133710.520.760.550.490.731.141.231.040.510.330.960.801.03NA0.760.690.300.511.770.730.801.100.901.481.482.510.991.230.751.861.851.19NA
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-ME2133080.250.420.670.831.021.280.981.021.351.491.461.420.871.111.071.040.730.901.301.090.861.630.771.431.131.090.451.360.341.040.451.14NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-ME2133330.680.720.790.561.011.441.100.900.711.160.831.191.091.421.151.120.400.641.200.801.201.450.911.870.860.910.681.310.671.211.120.90NA
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-ME213377NA1.560.970.97NANANA0.811.371.141.06NANANANANA0.511.090.720.980.921.05NANA0.69NA1.141.160.731.090.931.10NA
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-ME2133750.760.780.750.781.021.031.080.960.921.050.751.060.862.261.220.870.450.750.881.190.961.040.741.050.921.461.171.080.881.211.120.94NA
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-ME2133660.871.000.670.861.031.031.071.091.031.091.111.121.001.121.031.050.470.980.901.131.121.090.971.071.121.100.991.090.721.041.061.00NA
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-ME2133011.021.410.581.091.050.891.070.890.801.220.630.900.861.020.540.910.291.100.851.171.041.080.910.731.191.551.451.511.001.101.240.90NA
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-ME213315NANA0.17NA0.860.90NANA0.701.261.22NANA1.24NA0.74NA1.040.671.331.121.521.420.161.220.98NA1.48NANANANANA
2-HYDROXYBUTYRATE (CAS# ); (M-H)-ME2133130.930.580.570.660.680.761.161.120.621.360.660.881.011.380.760.980.400.600.890.831.301.930.821.730.931.751.401.290.821.290.940.96NA
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-ME2133510.230.420.321.001.001.550.940.711.391.340.861.230.901.180.820.930.440.581.230.921.181.380.781.101.131.890.870.850.860.881.791.27NA
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-ME2133831.73NA0.400.400.650.800.780.980.650.850.550.511.461.210.710.880.210.740.921.031.382.250.881.361.101.732.821.060.160.82NA0.99NA
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]ME2133470.851.230.600.990.920.951.041.020.930.990.810.720.780.750.691.060.120.680.980.891.211.190.772.110.891.991.391.080.961.181.191.02NA
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-ME213305NANA0.720.801.43NA0.93NA0.911.010.85NANA1.041.050.760.800.740.751.130.890.84NA0.980.831.19NA1.36NA1.981.120.88NA
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-ME2133820.62NANA0.711.081.021.131.130.891.441.081.410.74NA0.92NA0.060.910.221.210.691.300.211.320.902.10NA1.37NA1.221.360.96NA
CITRULLINE (CAS# 372-75-8); (M-H)-ME2133690.52NA0.690.701.040.921.181.031.050.840.720.680.730.560.95NA0.341.000.641.130.681.850.942.501.081.331.161.60NA1.120.981.03NA
CITRAMALATE (CAS# 2306-22-1); (M-H)-ME2133670.742.940.821.240.36NA0.49NA0.751.330.750.94NA1.68NA1.060.28NA1.56NANA0.760.490.91NA0.750.891.870.421.170.771.01NA
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-ME2132981.370.911.410.99NA1.000.12NANA1.35NA1.241.00NA0.87NA0.580.80NA1.140.95NA1.01NANA1.110.72NA0.921.31NA1.22NA
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-ME2133300.941.980.601.390.890.771.010.871.270.760.940.950.991.330.930.720.391.240.800.830.980.970.740.611.150.921.490.921.071.091.760.70NA
1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)-ME2133032.011.270.750.3210.770.200.050.380.130.050.100.04NANA0.13NA0.040.610.251.120.550.081.040.150.140.574.452.510.600.060.440.20NA
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-ME2133620.440.560.211.600.690.960.980.441.191.150.611.941.061.180.830.850.500.351.450.631.230.760.760.841.890.601.070.441.230.733.111.73NA
BENZOATE (CAS# 65-85-0); (M-H)-ME2133550.931.980.601.390.890.771.010.871.270.760.930.950.991.330.930.710.391.240.790.830.980.960.740.661.150.921.490.921.071.091.760.70NA
BILIVERDIN (CAS# 114-25-0); (M-H)-ME2133570.520.94NA1.27NA0.970.901.68NA0.77NA0.90NA0.550.530.38NANANA0.521.22NA0.501.271.341.992.530.810.89NA0.600.91NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-ME2133231.251.310.400.991.261.161.190.561.070.660.991.030.891.260.84NANA0.730.341.280.870.280.710.861.282.701.341.390.850.471.120.90NA
CHOLATE (CAS# 81-25-4); (M-H)-ME213361NA0.061.420.27NA0.180.120.211.110.594.870.581.240.145.640.350.05NA4.490.09NA0.083.630.14NA0.130.120.420.030.520.120.37NA
AZELAIC ACID (CAS# 123-99-9); (M-H)-ME2133530.760.780.750.781.011.021.080.960.921.050.751.040.852.261.220.870.450.810.881.190.961.030.741.040.921.461.171.080.881.211.120.94NA
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-ME213387NA1.55NA1.031.22NA1.611.050.84NA0.650.660.90NA0.890.340.090.860.480.941.291.371.100.811.511.141.13NA1.251.160.961.16NA
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-ME213370NA1.190.610.481.151.171.91NANANA0.840.780.88NA0.76NANANA0.50NA0.55NA1.85NANA1.00NANA0.930.842.140.44NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-ME2133850.300.461.060.332.311.580.960.610.92NA1.21NA0.720.740.450.400.300.621.56NA0.270.802.630.661.130.162.201.390.162.750.391.93NA
CITRATE (CAS# 77-92-9); (M-H)-ME2133680.820.871.220.901.111.061.111.080.930.991.001.080.980.870.890.880.510.870.891.110.900.921.030.901.001.341.060.981.591.091.140.88NA
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-ME2133070.250.430.630.831.081.311.031.111.321.431.381.280.811.060.990.980.730.851.241.080.881.540.721.341.171.180.511.480.421.260.551.15NA
BEHENIC ACID (CAS# 112-85-6); (M-H)-ME2133540.160.460.490.821.001.580.880.951.731.060.881.070.761.280.961.060.430.582.250.900.871.280.851.051.161.220.631.000.640.891.401.69NA
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)-ME2133271.441.550.951.041.622.802.082.110.431.460.501.441.250.901.132.280.250.741.060.850.160.010.200.010.190.460.330.291.550.142.660.13NA
ARACHIDONATE (CAS# 506-32-1); (M-H)-ME2133521.011.010.550.911.010.971.021.101.030.980.860.940.911.200.971.060.420.541.050.781.131.170.781.051.061.491.371.610.531.111.051.35NA

Factors:

F1Pair:Pair 1 | Timepoint:T0 | Treatment response:No
F2Pair:Pair 1 | Timepoint:T0 | Treatment response:Yes
F3Pair:Pair 1 | Timepoint:T2 | Treatment response:No
F4Pair:Pair 1 | Timepoint:T2 | Treatment response:Yes
F5Pair:Pair 2 | Timepoint:T0 | Treatment response:No
F6Pair:Pair 2 | Timepoint:T0 | Treatment response:Yes
F7Pair:Pair 2 | Timepoint:T2 | Treatment response:No
F8Pair:Pair 2 | Timepoint:T2 | Treatment response:Yes
F9Pair:Pair 3 | Timepoint:T0 | Treatment response:No
F10Pair:Pair 3 | Timepoint:T0 | Treatment response:Yes
F11Pair:Pair 3 | Timepoint:T2 | Treatment response:No
F12Pair:Pair 3 | Timepoint:T2 | Treatment response:Yes
F13Pair:Pair 4 | Timepoint:T0 | Treatment response:No
F14Pair:Pair 4 | Timepoint:T0 | Treatment response:Yes
F15Pair:Pair 4 | Timepoint:T2 | Treatment response:No
F16Pair:Pair 4 | Timepoint:T2 | Treatment response:Yes
F17Pair:Pair 5 | Timepoint:T0 | Treatment response:No
F18Pair:Pair 5 | Timepoint:T0 | Treatment response:Yes
F19Pair:Pair 5 | Timepoint:T2 | Treatment response:No
F20Pair:Pair 5 | Timepoint:T2 | Treatment response:Yes
F21Pair:Pair 6 | Timepoint:T0 | Treatment response:No
F22Pair:Pair 6 | Timepoint:T0 | Treatment response:Yes
F23Pair:Pair 6 | Timepoint:T2 | Treatment response:No
F24Pair:Pair 6 | Timepoint:T2 | Treatment response:Yes
F25Pair:Pair 7 | Timepoint:T0 | Treatment response:No
F26Pair:Pair 7 | Timepoint:T0 | Treatment response:Yes
F27Pair:Pair 7 | Timepoint:T2 | Treatment response:No
F28Pair:Pair 7 | Timepoint:T2 | Treatment response:Yes
F29Pair:Pair 8 | Timepoint:T0 | Treatment response:No
F30Pair:Pair 8 | Timepoint:T0 | Treatment response:Yes
F31Pair:Pair 8 | Timepoint:T2 | Treatment response:No
F32Pair:Pair 8 | Timepoint:T2 | Treatment response:Yes
F33Pair:Pooled | Timepoint:Pooled | Treatment response:Pooled
Data matrix
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