Clustering data with hclust algorithm for Colorectal Cancer Detection Using Targeted Serum Metabolic Profiling (Study ST000284)

ESI Positive/Negative ion mode (Analysis AN000452)
MetaboliteStructureF1F2F3
Hyppuric AcidME1030091.900.690.59
XanthosineME1030562.040.620.55
GlycocholateME1030011.640.920.55
GlycochenodeoxycholateME1030001.431.000.63
OrotateME1030301.510.890.70
AdenosineME1029550.510.921.52
IMPME1030100.841.260.83
AcetoacetateME1029521.230.980.82
CystathionineME1029761.280.880.90
D-Leucic AcidME1029821.290.890.88
Hydroxyproline/AminolevulinateME1030071.230.890.93
Aspartic AcidME1029661.240.910.90
GlyceraldehydeME1029961.240.930.88
CystamineME1029751.150.990.88
L-KynurenineME1030171.090.980.94
AdenylosuccinateME1029561.140.940.95
Glutamic acidME1029931.150.940.94
AllantoinME1029591.120.901.01
FructoseME1029871.190.890.97
Trimethylamine-N-oxideME1030491.210.851.01
N2,N2-DimethylguanosineME1030250.980.981.04
TaurineME1030470.990.981.04
GlycineME1029990.990.981.03
1-MethylhistamineME1029460.990.981.03
3-Nitro-tyrosineME1029490.990.981.03
F16BP/F26BPME1029861.000.981.02
GuanidinoacetateME1030020.990.991.02
SerineME1030430.990.991.02
ThreonineME1030480.961.001.04
AlanineME1029580.941.001.05
XanthurenateME1030570.951.001.05
BiotinME1029680.950.981.07
Glycerol-3-PME1029980.960.981.06
CitrullineME1029720.970.981.05
HypoxanthineME1030080.970.981.05
Leucine/iso-LeucineME1030140.960.991.05
TryptophanME1030500.960.991.05
MethylSuccinateME1030240.961.011.02
TyrosineME1030510.961.011.02
CarnitineME1029690.970.991.03
SorbitolME1030450.971.001.03
AsparagineME1029650.971.001.02
ValineME1030540.971.001.02
2^-DeoxyuridineME1029480.931.021.04
CreatinineME1029740.921.021.04
Margaric AcidME1030220.941.021.03
GlutamineME1029940.941.021.02
UrateME1030520.951.021.02
Alpha-Ketoglutaric AcidME1029600.951.021.02
HomogentisateME1030050.951.021.02
gama-AminobutyrateME1029900.941.011.04
AcetylcholineME1029530.951.011.03
MalateME1030190.951.011.03
GuanosineME1030030.921.051.01
InosineME1030110.921.051.00
CytidineME1029780.991.030.98
Reduced glutationeME1030410.981.020.99
Shikimic AcidME1030440.961.040.99
PropionateME1030370.961.031.00
Pyridoxal-5-PME1030380.951.031.01
Succinate/MethylmalonateME1030461.010.991.00
CholineME1029701.010.981.01
CystineME1029771.010.991.01
DTMPME1029830.991.001.00
PhenylalanineME1030351.001.001.00
D-GA3P/DHAPME1029801.001.001.00
AMPME1029621.001.001.00
BetaineME1029671.001.001.00
CytosineME1029791.011.010.98
AminoisobutyrateME1029611.011.000.99
4-Pyridoxic acidME1029501.011.000.99
5-HydroxytryptophanME1029511.011.000.99
1-MethyladenosineME1029451.030.990.99
EpinephrineME1029841.040.980.98
OxaloacetateME1030321.011.020.97
Glutaric AcidME1029951.031.000.97
Pyroglutamic AcidME1030391.031.010.97
KynorenateME1030121.090.940.99
FumaricME1029881.060.970.99
ProlineME1030361.060.960.99
Maleic AcidME1030201.080.960.98
PentothenateME1030331.070.970.98
ArginineME1029641.040.971.00
ErythroseME1029851.050.961.00
lactateME1030131.050.961.01
G16BPME1029891.020.971.02
HomovanilateME1030061.010.971.02
SalicylurateME1030421.040.961.02
OrnithineME1030291.030.961.02
GlucoseME1029921.030.961.02
OH-PhenylpyruvateME1030281.030.961.02
Oxalic AcidME1030311.050.941.02
XanthineME1030551.070.941.02
CreatineME1029731.040.931.04
PyruvateME1030401.060.921.04
GlucoronateME1029910.911.090.96
HistidineME1030040.871.071.03
Malonic Acid/3HBAME1030210.851.091.02
NiacinamideME1030270.920.941.14
DimethylglycineME1029810.851.031.09
Linolenic AcidME1030160.831.061.08
2-AminoadipateME1029470.871.001.11
AnthranilateME1029630.891.001.10
UridineME1030530.910.991.08
Citraconic AcidME1029710.901.011.08
Linoleic AcidME1030150.891.021.08
LysineME1030180.901.021.07
MethionineME1030230.901.021.06
PEPME1030340.911.021.06
AconitateME1029540.911.011.06
GlycerateME1029970.921.011.06
Adipic AcidME1029570.751.171.01
N-AcetylGlycineME1030260.781.031.15

Factors:

F1Patient group:CRC
F2Patient group:Healthy
F3Patient group:Polyp
Data matrix
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