Clustering data with hclust algorithm for (Study ST000743)

(Analysis AN001159)
MetaboliteStructureF1F2F3F4F5F6F7F8
HIPPURIC ACID (M+NA)+ME2057460.600.460.14NA1.065.250.890.35
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]ME2056860.720.380.170.131.246.680.990.38
HIPPURIC ACID (M+H)+ME2057450.650.340.16NA1.146.420.930.36
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]ME2056840.700.295.360.660.590.28NA0.44
HOMOVANILLIC ACID (M+H)+ME2057480.11NA4.870.35NA0.46NANA
IBUPROFEN (M+NA)+ME2057500.720.150.260.024.322.540.42NA
CARNITINE (M+H)+ME2057100.230.200.063.85NANA2.080.37
LINOLEOYLCARNITINE (*) (M+H)+ME2057660.254.100.560.000.520.58NA0.16
SPHINGANINE (M+H)+ME2058030.134.900.160.040.240.17NA0.09
DEOXYURIDINE (M+NA)+ME205723NA1.950.470.53NA0.750.460.89
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ME2057030.292.841.020.410.300.17NA0.42
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ME2057040.083.040.190.100.100.06NA0.07
INDOLE-3-ACETALDEHYDE (M+H)+ME2057510.461.070.091.891.030.100.913.30
SALICYLURIC ACID (M+H)+ME2057981.410.10NANA0.88NA1.61NA
SALICYLURIC ACID (M+NA)+ME2057991.930.20NA0.210.96NA2.380.32
ACETAMINOPHEN (TN TYLENOL) (M+NA)+ME2056942.950.03NA0.02NANA0.020.02
ACETYLCARNITINE (M+H)+ME2056951.941.020.260.160.910.230.340.27
ADIPIC ACID (M+H)+ME2056972.250.520.240.391.57NA0.270.22
OLEOYLCARNITINE (*) (M+H)+ME2057830.920.70NA0.17NA1.40NA2.04
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ME2058001.140.520.892.541.790.750.990.53
THEOBROMINE (M+H)+ME2058121.310.670.452.641.830.790.050.31
PIMELIC ACID (M+NA)+ME2057930.500.561.380.93NA3.18NA0.40
EICOSANOYLCARNITINE (*) (M+H)+ME2057301.050.24NA0.22NA2.34NANA
EICOSADIENOYLCARNITINE (*) (M+H)+ME2057291.090.46NA0.16NA2.02NANA
PALMITOYLCARNITINE (M+H)+ME2057901.010.58NA0.27NA2.10NANA
DESMOSTEROL (M+H)+[-H2O]ME2057261.000.660.181.301.173.060.330.65
SULFADIMETHOXINE (M+H)+ME2058071.630.590.441.540.182.350.200.42
SULFADIMETHOXINE (M+NA)+ME2058081.590.610.541.570.252.080.240.51
CAFFEINE (M+H)+ME2057071.460.640.361.320.892.760.040.21
CAFFEINE (M+NA)+ME2057081.380.580.461.250.932.29NA0.22
CYSTEIC ACID (M+H)+ME2057190.801.120.851.011.141.24NANA
THEOPHYLLINE (M+NA)+ME2058141.280.880.821.551.231.240.150.38
GLYCOCHOLIC ACID (M+H)+[-H2O]ME2057421.240.69NA1.260.961.330.42NA
METHYL JASMONATE (M+NA)+ME2057702.070.850.231.171.021.620.210.23
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+ME2057061.000.37NA0.781.640.35NA1.88
INDOLE-3-ACETIC ACID (M+NA)+ME2057530.801.020.531.042.330.731.170.92
CARNOSINE (M+NA)+ME2057111.221.290.560.801.510.120.850.62
GALACTURONIC ACID (M+NA)+[-H2O]ME2057350.760.77NA0.622.35NA1.350.64
INDOLE-3-ACETIC ACID (M+H)+ME2057521.070.85NA0.852.00NA0.950.75
N-ACETYL-L-PHENYLALANINE (M+NA)+ME2057730.940.88NA0.691.75NA1.021.08
ASPARAGINE (M+H)+ME2057010.392.121.470.660.900.471.440.14
MYRISTOYLCARNITINE (*) (M+H)+ME2057710.751.521.050.240.790.411.860.58
TAUROLITHOCHOLIC ACID (M+H)+ME2058090.791.430.550.160.45NA2.170.79
CHOLESTEROL (M+H)+[-H2O]ME2057120.850.732.181.820.512.080.400.68
GLYCOCHENODEOXYCHOLIC ACID (M+H)+ME2057391.040.952.321.600.110.590.880.61
ALPHA-LINOLENIC ACID (M+NA)+ME2056991.260.821.771.280.970.360.590.71
3-METHOXYTYROSINE (M+H)+ME2056880.891.091.671.250.430.961.050.69
TYROSINE (M+NA)+ME2058180.980.971.731.170.671.030.700.83
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]ME2057400.811.011.732.310.281.190.660.53
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+ME2057410.880.901.692.700.261.140.580.51
ADENOSINE 5^-MONOPHOSPHATE (M+H)+ME2056960.981.051.152.130.530.770.360.99
SPERMIDINE (M+H)+ME2058010.611.101.192.220.741.160.641.19
SPERMINE (M+H)+ME2058020.690.861.471.700.851.480.711.60
NICOTINAMIDE (M+H)+ME2057770.790.941.491.600.891.010.731.30
OLEIC ACID (M+NA)+ME2057810.860.931.281.820.970.770.741.17
L-HISTIDINE (M+H)+ME2057621.001.020.380.87NANA1.421.28
DODECENOYLCARNITINE (*) II M+ME2057271.571.040.920.480.420.480.590.67
GUANINE (M+H)+ME2057431.620.670.870.760.600.690.561.03
PANTOTHENIC ACID (M+H)+ME2057911.331.270.480.460.330.290.921.09
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+ME2056871.571.000.650.200.77NA0.640.48
RIBOFLAVIN (M+H)+ME2057971.500.990.620.640.43NA0.880.46
CALCIDIOL (M+H)+[-H2O]ME2057091.301.33NA0.420.261.200.560.36
GLUCOSE (M+NA)+ME2057371.011.730.490.78NA0.410.430.65
PANTOTHENIC ACID (M+NA)+ME2057921.321.410.380.780.400.440.610.44
KYNURENIC ACID (M+H)+ME2057590.760.921.290.471.381.132.020.98
OCTENOYLCARNITINE (*) M+ME2057790.991.000.960.390.551.631.970.56
GLYCEROL MYRISTATE (M+NA)+ME2057380.820.851.171.421.32NA1.170.74
HOMOGENTISIC ACID (M+H)+ME2057470.781.621.181.131.380.420.360.54
URIDINE (M+H)+ME2058200.621.530.091.731.110.870.690.90
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+ME2056751.310.850.381.230.261.341.081.38
THEOPHYLLINE (M+H)+ME2058131.121.010.531.161.001.260.071.44
16:0 LYSO PC (M+NA)+ME2056791.330.820.501.420.811.150.780.76
N-CYCLOHEXYLFORMAMIDE (M+H)+ME2057761.150.870.581.301.121.300.710.89
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+ME2056820.970.971.240.620.592.190.890.65
CITRIC ACID (M+NA)+ME2057141.190.841.120.900.711.620.740.76
ISOVALERYLCARNITINE (*) (M+H)+ME2057581.330.810.490.410.980.551.631.41
PROPIONYLCARNITINE (*) (M+H)+ME2057950.821.110.630.721.450.601.641.23
BILIVERDIN (M+H)+ME2057020.891.191.430.380.80NA0.980.87
TETRADECADIENOYLCARNITINE (*) M+ME2058100.991.002.000.220.560.721.211.32
LAUROYLCARNITINE (M+H)+ME2057641.131.001.640.390.830.601.030.97
TETRADECENOYLCARNITINE (*) M+ME2058111.171.001.750.300.860.480.881.02
LEUKOTRIENE B4 (M+H)+ME2057651.350.871.220.571.210.540.910.54
PALMITOLEYLCARNITINE (*) M+ME2057891.141.090.950.531.280.700.970.62
PIPECOLIC ACID (M+H)+ME2057941.120.881.501.011.030.561.070.82
ELAIDIC ACID (M+H)+ME2057321.111.021.510.690.990.690.900.73
HEXANOYLCARNITINE (*) M+ME2057441.141.001.370.601.120.681.040.67
DECENOYLCARNITINE (*) (M+H)+ME2057221.240.841.390.310.871.061.470.59
DECANOYLCARNITINE (*) (M+H)+ME2057211.160.862.010.271.150.661.330.52
OCTANOYLCARNITINE (*) (M+H)+ME2057781.170.871.960.291.180.651.260.51
HYPOXANTHINE (M+H)+ME2057490.661.551.081.090.480.691.440.39
OLEOYL-GLYCEROL (M+NA)+ME2057820.741.561.200.700.620.641.090.58
18:0 LYSO-PE (M+H)+ME2056810.971.370.750.850.750.930.860.50
CHOLINE PHOSPHATE (M+H)+ME2057130.761.630.700.640.660.690.780.71
ADIPIC ACID (M+NA)+ME2056981.151.340.851.130.551.050.370.45
SUBERIC ACID (M+NA)+ME2058060.701.510.881.110.701.220.630.59
N-ACETYLNEURAMINIC ACID (M+H)+ME2057750.970.861.560.840.351.261.041.55
RAFFINOSE (M+NA)+ME2057961.370.541.311.180.671.190.731.18
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+ME2056850.840.851.190.851.501.550.951.22
CYSTATHIONINE (M+H)+ME2057180.871.080.760.901.181.660.860.84
ISO-BUTYRYLCARNITINE (*) (M+H)+ME2057560.681.610.610.631.010.540.921.11
BUTYRYLCARNITINE (*) (M+H)+ME2057050.941.030.521.160.920.830.981.76
URIDINE (M+NA)+ME2058210.631.341.490.820.781.010.691.37
VALINE (M+NA)+ME2058230.531.581.130.720.880.850.891.06
ISOLEUCINE (M+H)+ME2057570.940.920.850.780.821.001.581.55
TYROSINE (M+H)+ME2058170.790.881.000.991.111.281.421.52
16:0 LYSO PC (M+H)+ME2056780.831.200.990.640.870.811.630.96
ALPHA-TOCOPHEROL (M+H)+ME2057001.001.111.261.001.020.650.670.94
OLEIC ACID (M+H)+ME2057801.051.061.101.060.620.820.931.01
KYNURENINE (M+H)+ME2057600.910.991.030.881.300.851.061.29
KYNURENINE (M+NA)+ME2057610.860.970.971.031.400.941.011.33
TRYPTOPHAN (M+NA)+ME2058160.960.980.951.241.090.821.061.09
DEPHOSPHO-COA (M+H)+ME2057240.851.170.971.040.860.671.191.20
TRYPTOPHAN (M+H)+ME2058150.911.010.951.011.070.811.251.23
VALINE (M+H)+ME2058220.870.971.010.971.221.231.091.11
URIC ACID (M+H)+ME2058190.901.121.120.841.050.851.140.95
N-ACETYL-DL-SERINE (M+H)+[-H2O]ME2057720.881.170.870.851.000.991.071.03
1-METHYLXANTHINE (M+H)+ME2056770.891.031.050.871.051.081.131.15
3-METHYLXANTHINE (M+H)+ME2056890.901.031.050.901.041.051.111.15
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ME2057631.030.981.011.000.971.070.930.99
EPIBRASSINOLIDE [ISTD] (M+H)+ME2057331.010.991.000.930.981.001.041.04
EPIBRASSINOLIDE [ISTD] (M+NA)+ME2057341.010.971.051.000.990.961.021.05
ZEATIN [ISTD] (M+H)+ME2058251.000.991.001.011.021.001.021.01
1-METHYLADENOSINE (M+H)+ME2056760.761.061.310.791.081.081.161.09
5^-METHYLTHIOADENOSINE (M+H)+ME2056920.841.101.080.691.080.981.071.32
METHIONINE (M+H)+ME2057690.901.001.180.950.900.971.031.35
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+ME2057201.071.260.840.780.960.710.921.07
ORNITHINE (M+H)+ME2057850.931.180.820.750.680.761.291.25
LYSINE (M+H)+ME2057670.891.250.910.820.660.981.071.03
LYSINE (M+NA)+ME2057680.761.280.950.770.661.041.271.17
DODECENOYLCARNITINE (*) M+ME2057280.940.783.260.250.600.930.891.18
16:0-18:0 PC (M+H)+ME2056800.502.252.000.310.670.51NA1.01
4-HYDROXYPHENYLACETIC ACID (M+H)+ME2056911.160.831.83NA0.370.83NANA
N-ACETYLGLYCINE (M+NA)+ME2057740.811.172.33NA0.36NANA0.20

Factors:

F1Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy
F2Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy
F3Gender:female | Glycemic status:normoglycemic | Neuropathy:Neuropathy
F4Gender:female | Glycemic status:normoglycemic | Neuropathy:no neuropathy
F5Gender:male | Glycemic status:diabetic | Neuropathy:Neuropathy
F6Gender:male | Glycemic status:diabetic | Neuropathy:no neuropathy
F7Gender:male | Glycemic status:pre-diabetic | Neuropathy:Neuropathy
F8Gender:male | Glycemic status:pre-diabetic | Neuropathy:no neuropathy
Data matrix
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