Clustering data with hclust algorithm for Caloric Restriction vs drugs (Study ST000090)

MS positive ion mode (Analysis AN000143)
MetaboliteStructureF1F2F3F4F5
HYPOXANTHINEME6574280.184.730.060.070.06
BRADYKININ DES-ARG(9) (*)ME6573640.350.190.842.890.91
OLEAMIDEME6574791.332.120.570.300.50
4-COUMARATEME6573270.632.990.290.390.57
INOSINEME6574320.422.920.750.450.23
XANTHINEME6575430.252.961.000.480.23
DIHEXOSEME6573902.100.930.560.640.74
CHOLIC ACIDME6573752.730.320.440.410.40
METHYL INDOLE-3-ACETATEME6574482.430.540.460.800.52
BRADYKININ (*)ME6573630.470.431.191.481.59
OPHTHALMIC ACIDME6574810.801.040.570.721.85
NORMETANEPHRINEME6574760.651.111.650.920.62
HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)ME6574171.530.930.980.790.73
PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6574891.590.810.960.740.76
N-ACETYL-DL-METHIONINEME6574631.510.760.770.911.02
METHYL BETA-D-GALACTOSIDEME6574471.300.810.841.120.92
ALLANTOATE (*)ME6573441.300.661.040.991.00
ACETYLCHOLINEME6573371.290.750.950.971.03
ORNITHINEME6574821.390.710.940.921.01
2-QUINOLINECARBOXYLIC ACIDME6573191.690.560.700.891.15
PIPERINE (*)ME6574971.760.481.020.760.85
HOMOSTACHYDRINE (*)ME6574261.250.670.821.470.81
1-OLEOYL-RAC-GLYCEROLME6573080.610.801.061.501.06
N,N,N-TRIMETHYLLYSINEME6574560.801.031.041.420.77
2-DEOXY-D-GLUCOSEME6573130.870.791.021.410.93
SPHINGOSINE (*)ME6575200.990.841.111.260.85
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)ME6573910.970.851.431.040.89
URATE (*)ME6575371.021.041.221.080.67
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)ME6574580.900.461.171.141.35
CARNITINEME6573681.080.671.131.170.96
CYSTINEME6573841.140.671.081.180.99
HISTIDINEME6574221.090.741.081.070.89
1-METHYLADENOSINEME6573061.060.781.071.070.99
AMINOHYDROXYBENZOIC ACIDME6573471.120.841.071.030.93
HOMOSERINEME6574250.990.681.131.121.09
HEXOSEME6574181.040.711.061.081.12
LYSINEME6574431.060.731.091.061.07
2-AMINO-2-DEOXYHEXOPYRANOSEME6573121.110.641.041.121.09
SPERMINEME6575181.030.621.061.111.18
GUANINEME6574150.980.751.041.201.04
METHIONINEME6574450.990.741.041.191.06
PHTHALATEME6574940.930.781.151.101.04
L-LEUCYL-L-LEUCINE (*)ME6574420.930.801.081.111.07
METHYLIMIDAZOLEACETIC ACID (*)ME6574520.910.821.111.091.04
EPINEPHRINEME6574021.140.511.131.181.06
PYRIDOXAMINEME6575071.080.601.221.011.02
GAMMA-GLUTAMYLTYROSINE (*)ME6574071.030.750.961.011.26
S-ADENOSYL METHIONINEME6575120.960.800.931.001.30
1-METHYLNICOTINAMIDEME6573070.900.651.011.161.29
5-Aminoimidazole ribotide (*)ME6573320.910.660.961.181.30
DIMETHYLXANTHINEME6573950.940.730.991.101.20
GAMMA-GLUTAMYLMETHIONINE (*)ME6574050.970.690.971.111.27
ALPHA-TOCOPHEROLME6573461.110.630.950.831.33
PHOSPHONOACETATEME6574931.060.571.020.971.20
GLUTAROYL CARNITINE (*)ME6574111.210.900.750.931.20
GLUTATHIONE OXIDIZEDME6574131.150.940.750.901.25
UROCANATEME6575400.950.910.930.911.30
GAMMA-GLUTAMYLISOLEUCINE (*)ME6574040.930.900.860.871.42
N-CYCLOHEXYLFORMAMIDEME6574721.040.890.860.801.39
BIOTINME6573561.301.020.930.731.01
N-ACETYL-BETA-D-GLUCOSAMINYLAMINE (*)ME6574611.270.980.860.831.03
N-ACETYL-L-ALANINEME6574641.291.110.890.910.83
HOMOVANILLATEME6574271.251.020.850.930.94
PIMELIC ACIDME6574951.351.000.770.960.93
GLYCINEME6574141.201.320.780.700.95
KYNURENIC ACIDME6574361.131.170.610.961.13
4-AMINOBENZOYLGLUTAMIC ACIDME6573261.271.160.670.870.97
HIPPURATEME6574201.161.190.740.861.03
ADENINEME6573380.901.230.840.831.15
N-ACETYL-L-LEUCINEME6574670.981.280.850.791.09
N,N-DIMETHYL-1,4-PHENYLENEDIAMINEME6574570.901.080.820.911.27
GLUTATHIONEME6574120.981.120.850.841.19
SPHINGANINEME6575190.921.120.840.911.14
ADENOSINE 5`-MONOPHOSPHATEME6573410.711.310.880.991.11
ADENOSINE 5`-MONOPHOSPHATE (*)ME6573420.761.140.971.031.11
GUANOSINE 5` MONOPHOSPHATEME6574160.731.130.980.931.20
ANTHRANILATEME6573490.911.090.871.021.12
CARNOSINEME6573690.841.140.891.031.11
N6-(DELTA2-ISOPENTENYL)-ADENINEME6574600.831.220.920.951.08
BOC-ALA-OHME6573590.891.170.881.061.00
RIBOFLAVINME6575110.841.250.891.010.99
ARACHIDONOYLGLYCEROPHOSPHOCHOLINE (*)ME6573500.871.191.180.830.87
OLEOYLGLYCEROPHOSPHOCHOLINE (*)ME6574800.841.171.140.910.88
CERAMIDE PHOSPHOCHOLINE (*)ME6573700.881.310.980.950.82
HISTAMINEME6574210.871.320.910.990.77
KYNURENINEME6574370.891.261.041.060.75
ALANINEME6573430.941.290.971.050.75
CREATINEME6573810.921.330.971.030.76
ALPHA-KETO-GLUTARATEME6573451.031.250.920.990.82
URATEME6575361.071.170.971.010.79
SUCCINATE (*)ME6575260.961.300.911.010.88
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATEME6573400.931.280.960.950.89
N-ACETYL-L-ASPARTIC ACIDME6574650.951.230.951.000.89
PYRIDOXAL 5`-PHOSPHATEME6575061.001.200.861.070.90
4-PYRIDOXATEME6573301.021.200.890.940.94
PYRIDOXALME6575051.011.220.880.980.90
SUCCINATEME6575250.971.170.911.030.93
INDOLE-3-ACETIC ACIDME6574291.021.140.920.990.90
METHYLMALONATEME6574531.011.150.911.010.92
BUTYRYLCARNITINE (*)ME6573650.871.160.990.981.01
SALICYLIC ACIDME6575140.861.211.040.950.96
CREATININEME6573820.901.111.051.000.94
TRYPTAMINEME6575330.921.121.001.010.95
CYTIDINEME6573850.991.161.000.980.87
HOMOCYSTEINEME6574230.981.081.021.020.89
PHENYLACETIC ACIDME6574911.041.140.960.900.91
LL-2,6-DIAMINOHEPTANEDIOATEME6574410.951.130.910.961.05
O-ACETYL-L-CARNITINEME6574770.991.160.930.911.00
EDTAME6573990.951.140.960.970.97
EDTA (*)ME6574000.951.100.970.971.00
CYCLOHEXANE-1,3-DIONEME6573831.011.110.970.950.97
DIMETHYL MALEATEME6573920.991.130.930.970.98
4-ACETAMIDOBUTANOATEME6573250.951.360.950.780.85
2-METHYLGLUTARIC ACIDME6573171.031.240.910.870.93
GLUTARATEME6574101.071.200.900.860.95
PALMITOYL SPHINGOMYELIN (*)ME6574840.991.290.910.830.97
PYRIDINE CARBOXYLIC ACIDME6575041.031.310.920.810.95
CIS-4-DECENOYL CARNITINE (*)ME6573781.021.320.930.850.87
URIDINEME6575391.031.300.900.840.91
MALATEME6574440.921.380.760.970.96
ADENOSINEME6573390.861.380.920.860.98
BIS(2-ETHYLHEXYL)PHTHALATEME6573570.881.330.900.910.96
3-UREIDOPROPIONIC ACIDME6573241.100.901.260.840.99
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACIDME6573140.990.751.170.871.04
DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINEME6573981.010.911.130.841.10
PANTOLACTONEME6574870.940.990.941.200.94
AZELAIC ACIDME6573520.981.040.831.151.02
SALSOLINOLME6575150.921.060.901.081.01
AMINOHYDROXYBUTANOIC ACIDME6573480.840.911.051.250.98
QUINOLIN-2-OLME6575090.791.050.961.280.94
CINNAMOYLGLYCINE (*)ME6573771.101.061.021.020.81
CHOLINEME6573761.100.991.011.030.87
PANTOTHENIC ACIDME6574881.151.010.961.050.84
CHOLESTEROLME6573731.091.040.911.050.90
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)ME6574401.111.080.930.990.89
PROPIONYLCARNITINE (*)ME6575021.121.050.910.980.94
4-METHYLCATECHOLME6573291.141.150.820.980.91
PIPECOLIC ACIDME6574961.181.080.871.000.87
25-HYDROXYCHOLESTEROLME6573111.210.891.040.970.90
METHYL JASMONATEME6574491.220.920.890.980.97
UREAME6575381.200.880.941.020.96
3-METHOXY-L-TYROSINEME6573231.120.990.890.990.99
5`-METHYLTHIOADENOSINEME6573311.080.950.971.000.98
PALMITOYLGLYCEROPHOSPHOCHOLINE (*)ME6574860.971.061.020.871.08
STEROL (*)ME6575240.921.091.060.861.06
CADAVERINEME6573661.051.001.050.900.99
THYROXINEME6575301.060.971.060.901.00
N-ACETYL-L-PHENYLALANINEME6574681.151.090.970.850.94
EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE (*)ME6574011.061.060.980.910.98
STEAROYLGLYCEROPHOSPHOCHOLINE (*)ME6575231.081.070.940.920.99
CHOLESTA-5,7-DIEN-3BETA-OLME6573721.011.050.990.911.03
ISOVALERYLCARNITINE (*)ME6574351.021.100.970.891.01
INDOLE-3-ETHANOLME6574301.111.040.970.841.01
ARG-VAL-TRPME6573511.121.060.910.851.05
QUINATEME6575081.091.070.890.871.05
N-ACETYL-DL-GLUTAMIC ACIDME6574621.090.830.970.951.17
N-ALPHA-ACETYL-L-LYSINEME6574701.150.830.970.871.15
N(PAI)-METHYL-L-HISTIDINEME6574551.071.010.871.001.11
CITRATEME6573801.120.920.880.971.11
BOC-PHE-OHME6573621.100.950.880.901.15
N-BENZYLOXYCARBONYLGLYCINEME6574711.090.950.880.921.15
GLUTAMINEME6574091.001.020.910.941.13
GAMMA-GLUTAMYLPHENYLALANINE (*)ME6574060.960.970.960.941.16
ISOLEUCINEME6574340.990.990.940.881.18
CAFFEINEME6573670.890.931.011.021.15
[13C]-ASPARTIC ACIDME6572941.060.900.901.021.13
BISPHOSPHOGLYCERATEME6573581.010.910.931.031.11
DIMETHYLGUANOSINE (*)ME6573940.990.900.971.011.13
HEXOSE (M+K)ME6574190.970.901.001.011.13
LEUCINEME6574390.990.891.000.951.16
VALINEME6575411.000.900.970.931.20
DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*)ME6573970.831.021.071.071.02
QUINOLINEME6575100.910.990.981.021.08
CIS-4-HYDROXY-D-PROLINEME6573790.950.991.000.971.08
PTERINME6575031.000.971.000.951.08
3-(CYSTEIN-S-YL)ACETAMINOPHEN (*)ME6573200.971.040.931.001.06
GLUCOSAMINE 6-PHOSPHATEME6574080.981.040.920.991.05
BIOPTERINME6573550.991.000.960.991.07
TIGLYL CARNITINE (*)ME6575311.001.010.970.991.04
TRANS-CYCLOHEXANE-1,2-DIOLME6575320.971.001.001.080.97
[13C]-ISOLEUCINEME6572961.001.001.031.030.94
N-ETHYLMALEIMIDEME6574731.020.981.021.040.91
5-HYDROXY-L-TRYPTOPHANME6573331.061.030.961.010.94
N-ALPHA-ACETYL-L-ASPARAGINEME6574691.021.030.971.000.98
TAURINEME6575271.021.060.971.000.94
PHENYLALANINEME6574920.991.020.971.011.01
TRYPTOPHANME6575340.961.040.991.021.00
[13C]-METHIONINEME6572990.990.991.011.001.00
[13C]-PHENYLALANINEME6573001.000.981.011.011.00
POSSIBLY C47H42O21, K ADDUCTME6574980.991.031.001.000.97
[13C]-TYROSINEME6573031.001.011.011.010.97
[13C]-VALINEME6573041.001.001.021.020.97
INDOLEPYRUVATE (*)ME6574310.980.940.981.051.05
N-ACETYL-L-CYSTEINEME6574661.000.950.951.041.05
PENTITOLME6574901.030.970.961.050.98
C-GLYCOSYLTRYPTOPHAN (*)ME6573710.990.950.991.071.01
DOCOSAHEXAENOIC ACIDME6573961.020.950.991.041.00
BILIVERDINME6573540.950.940.981.111.02
METHIONYLALANINE (*)ME6574460.950.940.951.091.08
[13C]-LEUCINEME6572970.900.961.140.991.01
VITAMIN D3ME6575420.890.951.121.031.01
PRO-HYDROXY-PRO (*)ME6575000.970.971.060.981.01
DEOXYURIDINEME6573880.940.911.091.031.03
2`-DEOXYCYTIDINEME6573100.940.951.081.021.01
THYMIDINEME6575290.930.941.071.031.04
INOSINE 5`-DIPHOSPHATEME6574331.050.911.061.040.95
POSSIBLY C47H42O21, NA ADDUCTME6574991.030.921.071.070.91
OCTOPAMINEME6574781.000.821.061.031.06
TYROSINEME6575351.030.831.051.041.06
PROLINEME6575011.010.861.011.041.09
THIAMINEME6575280.970.851.031.071.08
DIMETHYLARGININE (*)ME6573931.010.861.101.021.01
BENZENEDICARBOXYLIC ACIDME6573531.070.881.041.001.02
BOC-ASNME6573600.990.921.071.011.01
BOC-ASP-OHME6573611.000.911.051.021.03
NICOTINATE D-RIBONUCLEOSIDE (*)ME6574741.000.911.051.021.03
[13C]-GLUTAMATEME6572951.010.921.051.021.01
SELENOCYSTAMINEME6575161.000.921.041.021.02
6,7-DIHYDROBIOPTERINME6573361.010.921.011.031.03
N-METHYLTYRAMINE (*)ME6574751.000.931.021.031.02
[13C]-PROLINEME6573011.020.931.031.021.00
[13C]-THREONINEME6573021.030.911.031.031.00
[13C]-ARGININEME6572931.010.911.020.991.07
[13C]-LYSINEME6572981.040.921.000.971.06
CHOLESTEROL (-H20)ME6573740.991.320.491.051.11
4-GUANIDINOBUTANOIC ACIDME6573280.741.090.761.131.24
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)ME6573890.621.270.910.841.31
3-HYDROXY-3-METHYLGLUTARATEME6573220.792.180.790.590.64
SEROTONINME6575170.351.941.000.870.98
2`,4`-DIHYDROXYACETOPHENONEME6573090.652.090.700.481.04
METHYL PARABENME6574500.502.120.680.611.06
PALMITOYLCARNITINE (*)ME6574850.492.040.830.640.98
2-METHYLMALEATEME6573180.651.600.961.000.84
MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)ME6574540.761.391.190.960.71
PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)ME6574830.651.461.200.960.71
5-HYDROXYPENTANOIC ACIDME6573341.081.381.010.710.79
3,4-DIHYDROXYBENZOATEME6573210.951.520.990.660.87
ETHYLMALONIC ACIDME6574030.971.471.000.650.88
N4-ACETYLCYTIDINE (*)ME6574591.031.321.160.830.61
XANTHOSINEME6575440.961.601.190.650.62
12-HYDROXY-DODECANOIC ACIDME6573051.071.820.650.600.82
DEOXYCHOLATEME6573871.201.710.770.530.80
S-ADENOSYL-L-HOMOCYSTEINEME6575131.101.610.720.620.91
DECANOYLCARNITINE (*)ME6573860.691.750.810.741.00
STEAROYLCARNITINE (*)ME6575220.631.760.870.711.00
2-HYDROXYBUTYRIC ACIDME6573150.801.760.750.660.99
2-HYDROXYPHENYLACETIC ACIDME6573160.771.850.810.560.99
LAUROYLCARNITINEME6574380.691.820.810.641.00
HOMOGENTISATEME6574240.831.560.830.731.11
METHYLGLUTAROYLCARNITINE (*)ME6574510.731.650.840.681.05
STEAROYL SPHINGOMYELIN (*)ME6575210.701.560.900.691.12
5-VALEROLACTONEME6573350.921.480.900.651.07
XANTHURENIC ACIDME6575450.851.400.910.771.07

Factors:

F1Treatment:Acarbose
F2Treatment:Caloric restriction
F3Treatment:Control
F4Treatment:Estrogen
F5Treatment:Rapamycin
Data matrix
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