Clustering data with hclust algorithm for (Study ST002909)

(Analysis AN004775)
MetaboliteStructureF1F2F3F4F5F6
carnosineME7566220.010.191.150.350.2613.26
guanidineME7567170.58NA4.920.021.86NA
saccharopineME7566360.030.790.965.210.750.80
methylsuccinoylcarnitineME7568340.110.980.680.400.955.27
xanthurenateME7566930.270.310.310.441.016.17
N-acetyl-cadaverineME7567860.350.822.341.560.724.18
1-methyl-5-imidazoleacetateME7567970.181.700.700.390.993.69
inosine 5^-monophosphate (IMP)ME756632NANA0.450.510.913.86
formiminoglutamateME7567890.090.340.981.731.063.36
(S)-3-hydroxybutyrylcarnitineME7568330.110.441.041.271.023.89
methyl indole-3-acetateME7566750.483.550.980.370.683.11
cotinineME7566622.441.252.421.210.541.55
caffeineME7566632.001.140.230.390.572.08
trigonelline (N^-methylnicotinate)ME7567221.621.140.810.600.663.19
"N2-acetyl,N6,N6-dimethyllysine"ME7568550.172.361.082.120.881.91
N-acetylcitrullineME7567610.380.880.922.241.012.36
S-methylmethionineME7567841.280.560.29NA0.71NA
thiamin (Vitamin B1)ME756664NA0.141.260.031.300.02
dopamineME756691NA0.000.07NA1.470.20
N-methylhydroxyproline**ME7568450.130.110.150.131.780.19
3-hydroxypyridine glucuronideME7568570.840.480.130.161.761.33
3-hydroxykynurenineME7567160.100.450.320.461.151.18
3-ureidopropionateME7566730.060.200.280.371.491.22
cystathionineME7566270.030.290.350.331.411.37
theophyllineME7567040.600.450.140.261.480.55
quinolinateME7566110.050.400.660.381.480.62
trans-urocanateME7566490.260.260.390.361.470.67
4-guanidinobutanoateME7566960.711.042.070.980.871.85
7-methylurateME7567850.340.932.700.640.852.35
glycerophosphorylcholine (GPC)ME7567002.890.670.510.500.610.91
homostachydrine*ME7567602.600.830.760.400.591.52
S-methylcysteine sulfoxideME7567982.721.091.000.740.521.04
gamma-glutamylcitrulline*ME7568482.251.310.810.600.520.90
S-allylcysteineME7568172.131.500.630.660.470.86
S-1-pyrroline-5-carboxylateME7566052.220.750.850.720.690.75
4-hydroxyglutamateME7567901.880.790.911.000.710.81
tryptophanME7566531.940.951.061.030.740.91
N-methylprolineME7567781.840.880.850.690.870.51
stachydrineME7567381.631.050.980.840.880.48
"2,3-dihydroxypyridine"ME7567131.471.170.770.530.880.92
guanidinoacetateME7566301.600.890.790.770.900.81
gamma-glutamylglutamineME7566791.611.451.100.740.780.98
gamma-glutamylglycineME7567361.221.601.020.770.880.94
alliinME7568071.481.140.651.040.571.57
glycerophosphoethanolamineME7567671.780.700.730.760.851.25
indoleacetoylcarnitine*ME7568531.700.890.790.720.791.20
homoarginineME7567151.861.091.180.690.741.04
cysteine-glutathione disulfideME7567501.951.360.930.820.641.39
citrullineME7566351.711.250.930.660.791.20
gamma-glutamylalanineME7567751.611.230.980.700.771.38
S-carboxyethylcysteineME7568671.300.910.860.680.881.98
xanthosineME7567031.780.680.751.460.961.59
glycerol 3-phosphateME7566970.730.520.831.221.022.41
isobutyrylcarnitine (C4)ME7567210.450.731.030.951.062.46
guanidinosuccinateME7567320.050.710.670.781.112.52
2-furoylcarnitineME7568410.490.570.830.891.182.12
2-methylbutyrylcarnitine (C5)ME7567570.230.430.700.791.232.26
cyclo(gly-pro)ME7567760.770.941.370.810.853.38
butenoylcarnitine (C4:1)ME7568400.110.450.610.830.903.47
benzoylcarnitine*ME7568190.220.661.200.550.853.18
AMPME7566160.370.770.940.781.062.96
phenylacetylcarnitineME7568230.390.700.760.971.053.13
1-ribosyl-imidazoleacetate*ME7567710.442.411.050.800.842.67
5-hydroxymethyl-2-furoylcarnitine*ME7568620.552.090.940.750.752.25
1-methylguanidineME7567070.101.500.540.360.922.39
2-methylmalonylcarnitine (C4-DC)ME7567640.141.660.671.230.952.29
3-aminoisobutyrateME7566770.291.860.841.410.991.91
3-methylglutarylcarnitine (2)ME7568220.081.811.130.901.101.58
dimethylguanidino valeric acid (DMGV)*ME7568610.071.371.140.931.071.95
N-acetyl-isoputreanineME7568540.221.341.091.061.091.83
gamma-carboxyglutamateME7567910.391.651.100.940.992.01
prolylhydroxyprolineME7567290.611.301.151.060.971.89
(S)-a-amino-omega-caprolactamME7568650.531.580.991.090.991.73
3-amino-2-piperidoneME7568500.901.471.090.810.901.81
2-oxindole-3-acetateME7567990.601.591.240.630.981.87
"N,N-dimethyl-5-aminovalerate"ME7568600.461.720.930.611.021.85
spermidineME7566060.641.281.241.120.862.72
1-methylurateME7567460.341.330.900.960.992.89
N-acetyl-2-aminoadipateME7568680.271.051.181.091.022.71
N-acetyl-1-methylhistidine*ME7568150.121.491.081.371.012.51
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)ME7568350.171.251.261.281.032.25
1-methyl-4-imidazoleacetateME7567310.441.571.141.110.942.35
N6-carboxymethyllysineME7567730.261.811.170.920.972.44
N-acetylcarnosineME7568110.541.511.270.800.952.17
glutarylcarnitine (C5-DC)ME7567620.431.351.291.000.982.08
trimethylamine N-oxideME7568030.551.151.290.920.972.23
"hydroxy-N6,N6,N6-trimethyllysine*"ME7568630.231.391.130.861.052.32
indolin-2-oneME7568160.511.381.180.780.912.48
lanthionineME7568090.421.301.050.791.022.47
N-acetylprolineME7567430.561.331.020.890.962.51
3-methylcrotonylglycineME7567270.421.320.550.751.041.99
hexanoylcarnitine (C6)ME7567090.180.821.031.101.142.12
N-carbamoylalanineME7568240.351.090.840.991.122.13
succinylcarnitine (C4-DC)ME7567770.411.121.061.201.042.01
7-methylxanthineME7567450.991.262.320.650.830.91
glutamine_degradant*ME7567590.461.221.810.541.061.00
acetoacetateME7566820.120.480.481.251.400.57
3-phosphoglycerateME7566080.480.580.892.101.141.02
(R)-3-hydroxybutyrylcarnitineME7568100.080.410.741.771.280.99
creatineME7566830.430.610.901.541.180.94
diacetylspermidine*ME7568490.070.760.751.351.050.85
"N2-acetyl,N6-methyllysine"ME7568560.601.841.751.510.851.31
4-hydroxyphenylacetoylcarnitineME7568280.211.331.431.271.071.07
adipoylcarnitine (C6-DC)ME7568270.071.191.701.561.081.31
suberoylcarnitine (C8-DC)ME7568290.051.181.721.231.081.62
hydroxycotinineME7567931.350.621.611.180.880.83
cystineME7566260.860.951.451.061.000.87
N6-methyllysineME7568040.771.251.571.200.970.79
cotinine N-oxideME7567940.791.031.741.470.870.76
adenineME7566650.681.101.551.710.950.96
aspartateME7566200.680.931.311.531.030.80
gamma-glutamylglutamateME7566281.061.090.791.570.980.63
3-hydroxystachydrine*ME7568421.320.930.710.241.020.75
2-piperidinoneME7568141.080.961.570.630.970.75
tryptophan betaineME7567721.111.211.320.830.950.71
theobromineME7567051.000.831.040.511.051.07
carnitineME7566920.840.971.211.011.021.02
beta-alanineME7566210.970.851.170.891.001.17
"glutamate, gamma-methyl ester"ME7567230.891.001.120.941.011.10
3-methylcytidineME7567520.880.881.061.031.031.12
phosphateME7566430.910.931.040.941.021.16
tyrosineME7566601.021.021.140.901.000.84
prolineME7566440.981.121.080.800.991.05
asparagineME7566671.001.041.010.841.010.96
norcotinineME7567921.040.911.010.841.030.98
methionineME7566390.771.050.980.801.090.88
cholineME7566870.860.960.860.951.070.96
2^-O-methylcytidineME7568360.970.891.000.921.040.87
betaineME7566560.890.980.971.011.050.88
levulinate (4-oxovalerate)ME7567081.100.881.031.270.960.97
isoleucineME7566331.150.790.910.951.010.83
leucineME7566371.210.900.971.070.960.90
valineME7566541.310.870.931.020.940.92
2-aminoheptanoateME7568181.191.060.890.771.000.67
cysteine sulfinic acidME7567801.150.871.160.930.950.67
glutamateME7566500.941.010.961.041.050.67
gamma-glutamylthreonineME7567411.211.210.930.710.950.98
glutamineME7566511.241.181.160.820.901.06
thioprolineME7568311.181.081.080.910.940.98
hydroxyprolineME7566681.620.981.020.680.851.01
alanineME7566591.281.021.110.750.921.06
lysineME7566381.290.931.080.820.931.06
ornithineME7566411.360.861.050.770.930.99
threonineME7566521.350.981.060.780.920.95
glycineME7566291.401.151.030.750.900.88
arginineME7566181.470.961.010.770.900.85
serineME7566451.460.980.940.800.910.86
4-imidazoleacetateME7567301.110.961.291.060.891.24
levulinoylcarnitineME7568641.120.921.370.890.931.07
5-hydroxylysineME7566951.250.851.190.760.931.20
gamma-glutamyl-alpha-lysineME7568371.161.091.070.730.931.25
phosphocholineME7566230.970.720.781.221.041.17
ergothioneineME7567830.760.780.871.001.160.52
methionine sulfoxideME7566940.620.750.940.721.190.81
2-aminobutyrateME7566780.700.750.950.971.150.75
nicotinamideME7566400.790.760.890.911.120.92
threonylphenylalanineME756725NA1.181.020.950.990.81
(2-butoxyethoxy)acetic acidME7568660.160.821.020.761.210.78
imidazole propionateME7568060.290.771.240.541.270.67
1-methylnicotinamideME7566070.640.570.820.561.181.43
betonicineME7567820.560.610.470.551.471.21
anthranilateME7566880.220.620.700.671.291.13
glycerophosphoserine*ME7568380.230.600.570.661.131.01
glycerophosphoinositol*ME7567680.160.790.630.691.241.28
picolinateME7566690.200.640.500.821.301.30
histidine betaine (hercynine)*ME7568120.381.010.530.881.090.83
adenosineME7566550.180.700.690.781.090.83
kynurenineME7566990.300.680.680.631.330.79
N-formylkynurenineME7566120.350.770.690.811.290.87
beta-hydroxyisovaleroylcarnitineME7567630.260.450.661.171.301.11
"N1,N12-diacetylspermine"ME7567810.030.500.590.961.121.11
3-hydroxyhexanoylcarnitine (2)ME7568590.220.610.931.041.051.13
N-acetylkynurenine (2)ME7568250.330.490.930.821.251.09
N-acetyl-aspartyl-glutamate (NAAG)ME7567660.180.630.951.141.231.46
tiglyl carnitine (C5)ME7567650.230.520.971.201.231.41
2-oxoarginine*ME7567960.490.490.860.851.201.45
isovalerylcarnitine (C5)ME7567440.430.570.931.021.191.39
ectoineME7567690.501.860.641.051.081.23
gamma-glutamylhistidineME7566850.621.590.910.881.031.28
3-hydroxybutyroylglycine**ME7568440.441.370.931.501.071.06
argininosuccinateME7566190.361.540.681.490.931.42
3-formylindoleME7568471.110.851.121.280.881.71
N-acetylarginineME7567341.341.121.171.110.821.37
prolylglycineME7568081.291.151.131.000.821.44
fructosyllysineME7568210.950.940.830.871.031.30
gamma-glutamyl-epsilon-lysineME7567330.961.260.750.910.951.55
hypoxanthineME7566100.961.010.910.890.971.63
cysteinylglycineME7566250.621.261.410.940.981.58
"5,6-dihydrothymine"ME7566090.891.271.390.890.921.35
N-acetylaspartate (NAA)ME7567100.841.131.210.940.971.46
"N,N,N-trimethyl-5-aminovalerate"ME7568390.971.050.881.220.951.49
gamma-glutamylleucineME7566890.801.120.951.111.011.36
taurineME7566470.801.031.001.160.991.53
cysteinylglycine disulfide*ME7567880.801.141.221.130.981.25
gamma-glutamyltryptophanME7567370.831.201.251.310.921.40
phenylalanineME7566420.520.840.930.891.171.07
argininate*ME7567950.410.651.050.891.191.26
"N6,N6,N6-trimethyllysine"ME7566140.400.761.060.791.191.20
imidazole lactateME7566980.210.831.270.871.201.25
ureaME7566480.360.941.211.021.131.36
gamma-glutamyl-2-aminobutyrateME7567560.460.881.131.021.161.06
3-hydroxyoctanoylcarnitine (1)ME7568690.290.851.130.961.201.13
3-hydroxyoctanoylcarnitine (2)ME7568700.390.801.141.051.161.22
5-methylthioadenosine (MTA)ME7566170.391.181.220.671.151.04
cytidineME7566610.400.981.160.841.151.04
N4-acetylcytidineME7567490.261.051.230.871.191.02
pipecolateME7566710.460.901.261.121.130.95
1-methyladenosineME7566860.541.061.131.001.110.97
dimethylglycineME7566580.641.081.140.911.100.83
gamma-glutamylisoleucine*ME7567550.661.020.840.851.101.26
serotoninME7566460.570.800.990.951.031.29
N-acetylglutamateME7567010.631.010.891.141.081.24
phosphoethanolamine (PE)ME7566720.680.890.881.091.091.23
N-acetylglycineME7567180.841.170.951.181.020.91
2-hydroxyglutarateME7567790.501.100.861.131.131.07
iminodiacetate (IDA)ME7567140.661.171.091.071.051.11
nicotinate ribonucleosideME7567420.711.120.941.021.071.06
gamma-glutamyltyrosineME7566740.711.301.110.871.050.99
3-methoxytyrosineME7566900.601.261.210.861.061.10
"N,N-dimethylalanine"ME7568510.701.331.260.861.011.10
gamma-glutamylmethionineME7567400.711.260.880.741.090.99
valylleucineME7568010.671.370.821.021.181.12
dimethyl sulfoneME7568130.610.990.901.181.071.61
N-alpha-acetylornithineME7567020.471.130.961.301.051.65
carboxyethyl-GABAME7568020.481.360.991.271.051.42
malonylcarnitineME7567580.271.220.761.331.101.44
methionine sulfoneME7568200.641.371.581.010.951.33
"N6,N6-dimethyllysine"ME7568520.531.481.431.070.991.29
"cys-gly, oxidized"ME7566840.461.351.471.360.991.39
hydroxyasparagine**ME7568430.401.371.351.131.021.50
hypotaurineME7566310.461.461.251.191.001.53
1-methylhistidineME7567190.341.091.191.051.131.25
sarcosineME7566700.281.191.151.041.151.16
2-methylserineME7568320.371.281.291.051.081.24
7-methylguanineME7567510.501.141.341.071.051.27
cysteineME7566570.681.011.251.001.031.32
deoxycarnitineME7567700.510.971.230.951.101.23
cytosineME7566660.531.191.031.051.081.25
gamma-glutamylvalineME7567260.521.231.041.121.061.37
dimethylarginine (ADMA + SDMA)ME7567740.541.201.210.931.061.29
cis-urocanateME7568050.631.241.180.981.021.38
creatinineME7566240.601.161.160.991.041.41
leucylglycineME7568000.371.230.910.970.971.48
N-acetylglucosaminylasparagineME7566810.461.160.990.951.091.55
N1-methylinosineME7567470.171.111.090.791.181.53
5-(galactosylhydroxy)-L-lysineME7567870.191.261.270.981.121.48
N-acetylthreonineME7567350.281.181.201.111.101.56
2-aminoadipateME7566340.810.601.051.071.031.69
propionylcarnitine (C3)ME7567280.610.661.011.121.101.46
gamma-glutamylphenylalanineME7567060.190.870.780.891.231.61
N(^1)-acetylspermidineME7566130.130.651.200.941.201.68
3-methylxanthineME7567240.500.751.240.881.191.63
butyrylcarnitine (C4)ME7567200.430.751.041.011.131.70
nicotinamide ribosideME7567390.610.951.401.380.951.34
N-acetylneuraminateME7566800.181.011.091.221.161.48
"N2,N2-dimethylguanosine"ME7567480.191.051.171.171.161.30
N-acetylglucosamine/N-acetylgalactosamineME7568260.300.971.071.231.151.26
N-acetylputrescineME7566150.371.081.341.201.051.69
4-acetamidobutanoateME7566760.140.981.321.341.131.57
"N,N,N-trimethyl-alanylproline betaine (TMAP)"ME7568460.140.961.311.151.151.53
N1-Methyl-2-pyridone-5-carboxamideME7567530.350.751.021.481.141.36
acetylcarnitine (C2)ME7567110.390.711.131.231.151.25
N1-Methyl-4-pyridone-3-carboxamideME7567540.380.701.121.371.141.29
3-hydroxyhexanoylcarnitine (1)ME7568580.160.711.251.221.211.21
azeloylcarnitine (C9-DC)ME7568300.070.631.250.971.041.30

Factors:

F1Group:control
F2Group:culture neg
F3Group:ecoli
F4Group:klebs
F5Group:melioid
F6Group:staph
Data matrix
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