Clustering data with hclust algorithm for (Study ST000552)

(Analysis AN000843)
MetaboliteStructureF1F2
LevofloxacinME1657520.001.50
Syringic AcidME1658450.321.91
THIAMINEME1658610.172.11
Taurodeoxycholic Acid (T-DCA)_R4ME1658561.610.27
Taurocholic acid (TCA)_R2ME1658501.690.54
3-(Hydroxyphenyl) Propionic AcidME1656491.370.63
Glycocholic Acid (GCA)_R2ME1657241.380.62
Glycodeoxycholic acid (GDCA)ME1657291.390.58
Taurocholic acid (TCA)_R3ME1658511.400.60
Chenodeoxycholyglycine (GCDCA)_R3ME1656931.400.60
IsovalerylcarnitineME1657431.400.60
Taurocholic acid_R1ME1658471.470.58
Taurocholic acid (TCA)_R1ME1658491.430.57
Taurodeoxycholic Acid (T-DCA)_R2ME1658541.530.44
Taurodeoxycholic Acid (T-DCA)_R6ME1658581.530.42
Taurodeoxycholic Acid (T-DCA)_R5ME1658571.490.41
Taurodeoxycholic Acid (T-DCA)_R3ME1658551.490.44
Taurodeoxycholic Acid (T-DCA)_R7ME1658591.480.46
Taurocholic acid_R2ME1658481.540.55
6C-SUGAR ALCOHOLME1656701.490.51
THREONINE/HOMOSERINE_R2ME1658631.480.52
QUINATEME1658351.140.86
N-ACETYL-DL-SERINE_R2ME1658001.140.86
N-MethylnicotinamideME1658141.140.86
PYRIDOXINEME1658331.120.88
5-AMINOLEVULINIC ACID_R3ME1656641.130.87
L-AcetylcarnitineME1657461.130.87
N-ACETYL-DL-GLUTAMIC ACIDME1657981.090.91
Glycoursodeoxycholic acid (G-UDCA)_R5ME1657341.100.88
CREATINEME1656991.100.90
PHOSPHOCHOLINEME1658281.110.89
N-Acetyl-ArginineME1657971.110.89
L-(+)-Lactic AcidME1657451.110.89
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATEME1656801.110.89
BETAINEME1656841.110.89
Taurocholic acid (TCA)_R4ME1658521.160.78
5-AMINOLEVULINIC ACID_R2ME1656631.170.83
DL-5-HYDROXYLYSINEME1657111.160.83
D-(+)-GALACTOSAMINEME1657021.180.82
UROCANATEME1658731.190.81
INDOLE-3-ACETATEME1657401.310.69
Chenodeoxycholyglycine (GCDCA)_R1ME1656911.270.73
Taurodeoxycholic Acid (T-DCA)_R1ME1658531.210.78
4-AMINOBUTANOATE (GABA)ME1656571.230.77
Kynurenic AcidME1657441.230.77
ValerylcarnitineME1658741.250.75
Chenodeoxycholyglycine (GCDCA)_R2ME1656921.240.75
(R)-MALATEME1656401.240.76
TRANS-CINNAMATEME1658651.030.97
TAURINEME1658461.030.97
Sphingosine (d18:1)ME1658401.030.97
SPERMINEME1658391.030.97
N-ACETYL-L-ALANINEME1658031.030.97
L-VALINE/5-AMINOPENTANOATE/L-NORVALINEME1657721.030.97
L-Tryptophan-NH3ME1657701.030.97
L-TryptophanME1657691.030.97
L-KYNURENINEME1657571.030.97
CholineME1656941.030.97
1-AMINOCYCLOPROPANE-1-CARBOXYLATEME1656431.030.97
5-hydroxyindoleacetic acidME1656651.030.97
URACILME1658701.040.96
THYMINEME1658641.040.96
THREONINE/HOMOSERINE_R1ME1658621.040.96
NICOTINAMIDEME1658121.040.96
N-BOC-L-Tryptophan_R2ME1658111.040.96
N-BOC-L-Tryptophan_R1ME1658101.040.96
LysoPC (18:2)_R1ME1657811.040.96
LysoPC (16:0)_R3ME1657751.040.96
L-PROLINEME1657671.040.96
L-LEUCINEME1657591.040.96
DIHYDROXYACETONE PHOSPHATEME1657061.040.96
2-HydroxyphenylalanineME1656461.040.96
4-HYDROXY-L-PHENYLGLYCINEME1656591.040.96
N-ACETYL-L-ASPARTIC ACIDME1658041.070.93
N-METHYL-D-ASPARTIC ACIDME1658131.070.93
TrigonellineME1658671.060.94
L-LYSINEME1657621.060.94
L-IsoleucineME1657561.060.94
CITRULLINEME1656981.060.94
Acyl-Carnitine(5-OH)ME1656751.060.94
BUTYROBETAINEME1656881.060.94
Glycoursodeoxycholic acid (G-UDCA)_R4ME1657331.050.94
Pyroglutamic AcidME1658341.050.95
ProprionylcarnitineME1658301.050.95
Methionine SulfoxideME1657891.050.95
LysoPE (18:0)ME1657841.050.95
LysoPC (18:0)_R1ME1657791.050.95
L-CARNITINEME1657491.050.95
5-HYDROXY-L-TRYPTOPHANME1656661.050.95
5-METHYLCYTOSINE HYDROCLORIDEME1656691.050.95
URIDINEME1658720.981.02
SUCCINATEME1658430.981.02
Palmitoleic acidME1658230.981.02
OctanoylcarnitineME1658170.981.02
LysoPC (16:1)_R2ME1657780.981.02
L-Leucine 13C6ME1657600.981.02
GLUCOSAMINE/MANNOSAMINE_R1ME1657170.981.02
Acetaminophen/Paracetamol_R1ME1656730.981.02
3-HYDROXYANTHRANILIC ACIDME1656540.981.02
5-Hydroxymethyl-2-furaldehydeME1656670.981.02
Stachydrine_R1ME1658410.961.04
LysoPE (18:1)ME1657850.961.04
1,2-Benzisothiazolin-3-oneME1656410.961.04
LL-2,6-DIAMINOHEPTANEDIOATEME1657580.961.04
SPERMIDINEME1658380.971.03
PIPECOLATE/L-PIPECOLIC ACIDME1658290.971.03
Pantothenic AcidME1658240.971.03
ORNITHINEME1658220.971.03
L-METHIONINE_R1ME1657630.971.03
D-GLUCOSAMINE 6-PHOSPHATEME1657040.971.03
1,3-Benzodioxolyl-N-methylbutanamine (MBDB)ME1656420.971.03
DecanoylcarnitineME1657030.971.03
URATEME1658710.991.01
Triethyl phosphateME1658660.991.01
Tetrahydrothiophene-1-oxideME1658600.991.01
N-BOC-L-tert-LeucineME1658090.991.01
N-BOC-L-Aspartic AcidME1658080.991.01
L-Phenylalanine 13C6ME1657660.991.01
L-GLUTAMINEME1657530.991.01
Glycoursodeoxycholic acid (G-UDCA)_R3ME1657320.991.01
GalaxolidoneME1657140.991.01
DiphenylamineME1657070.991.01
Creatine-D3ME1657000.991.01
CamphorME1656900.991.01
AnthranilateME1656810.991.01
3,4-Dimethylbenzoic acidME1656500.991.01
ALANINE/SARCOSINEME1656770.991.01
Tryptophan-2,3,3-D3ME1658681.001.00
PHENETHYLAMINEME1658261.001.00
N(PAI)-METHYL-L-HISTIDINEME1657941.001.00
Monobutyl phthalateME1657921.001.00
METHYL JASMONATEME1657911.001.00
LysoPC (16:0)_R2ME1657741.001.00
L-Tyrosine 13C6ME1657711.001.00
L-Leucine-D10ME1657611.001.00
L-HISTIDINEME1657541.001.00
IsobutyrylcarnitineME1657421.001.00
Dibutyl phthalateME1657051.001.00
CREATININEME1657011.001.00
Caffeine-D3ME1656891.001.00
ALLANTOINME1656791.001.00
3,5-Di-tert-butylbenzaldehydeME1656511.001.00
ADENINEME1656761.001.00
Tryptophan-2,3,3-D3-NH3ME1658691.010.99
PYRIDINE-2,3-DICARBOXYLATEME1658311.010.99
N-ALPHA-ACETYL-L-LYSINEME1658071.010.99
N-ACETYL-L-LEUCINEME1658051.010.99
LysoPC (16:0)_R4ME1657761.010.99
L-CYSTEIC ACIDME1657511.010.99
L-ARGININEME1657471.010.99
HYPOXANTHINEME1657391.010.99
GlycerophosphocholineME1657211.010.99
Dipropyl phthalateME1657081.010.99
Dipropyleneglycol dibenzoateME1657101.010.99
BOC-L-TyrosineME1656871.010.99
BOC-D-PhenylalanineME1656861.010.99
5,6-DIHYDROURACILME1656611.010.99
ASPARTATE_R1ME1656821.010.99
Phenylalanine-HCOOHME1658271.020.98
N-ACETYL-DL-SERINE_R1ME1657991.020.98
LysoPC (16:0)_R1ME1657731.020.98
L-SERINEME1657681.020.98
L-PhenylalanineME1657651.020.98
L-ASPARAGINEME1657481.020.98
6-DEOXY-HEXOSEME1656711.020.98
CITRAMALATEME1656951.020.98
MONO-METHYL GLUTARATEME1657930.821.18
Hydroxyhippuric acidME1657370.821.18
LysoPC (18:2)_R2ME1657820.821.18
SEROTONINME1658360.821.19
LysoPE (20:4)_R2ME1657870.811.19
Gallic AcidME1657150.811.19
LysoPE (20:4)_R1ME1657860.811.19
O-Propionyl_L-carnitine:HClME1658210.831.17
O-Octanoyl-L-carnitine:HCl(N-methyl-D3)ME1658200.831.17
L-Carnitine (trimethyl-D9)ME1657500.831.17
HEXOSE-DISACCHARIDEME1657350.831.17
3-UREIDOPROPIONATEME1656560.831.17
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONEME1657160.831.17
SEROTONIN-NH3ME1658370.841.16
5-AMINOLEVULINIC ACID_R1ME1656620.841.16
LysoPC (18:0)_R2ME1657800.841.16
N1-Methyl-4-pyridone-5-carboxamideME1657960.771.23
CITRATE_R2ME1656970.801.20
O-Acetyl-Lcarnitine:HCl (N-methyl-D3)ME1658150.801.20
IohexolME1657410.791.22
HypoxanthineME1657380.791.21
CITRATE_R1ME1656960.791.21
Dipropylene glycolME1657090.791.21
4-IMIDAZOLEACETIC ACIDME1656600.921.08
D-RiboseME1657120.921.08
N1-Methyl-2-pyridone-5-carboxamideME1657950.911.09
PYRIDOXALME1658320.911.09
GLYCEROLME1657200.951.05
3-AMINOISOBUTANOATEME1656520.951.05
3-HYDROXY-3-METHYLGLUTARATEME1656530.951.05
Stachydrine_R2ME1658420.941.06
N-ACETYL-HEXOSAMINEME1658020.941.06
LysoPC (20:4)ME1657830.941.06
Bis(2-ethylhexyl) phthalateME1656850.941.06
3-METHOXYTYRAMINEME1656550.941.06
ASPARTATE_R2ME1656830.941.06
SulcatolME1658440.931.07
N-ACETYLPUTRESCINEME1658060.931.07
L-METHIONINE_R2ME1657640.931.07
ALDO/KETO-HEXOSEME1656780.931.07
GLUCOSAMINE/MANNOSAMINE_R2ME1657180.931.07
O-Butyryl-L-carnitine:HClME1658160.861.14
GLUTARATEME1657190.861.14
Glycocholic Acid (GCA)_R3ME1657250.861.14
Hippuric AcidME1657360.851.15
O-Isovaleryl-L-carnitine (N,N,N-trimethyl-D9)ME1658180.851.15
2-AMINOPHENOLME1656450.871.13
4-GUANIDINOBUTANOATEME1656580.871.13
N-ACETYLGLYCINEME1658010.881.12
LysoPC (16:1)_R1ME1657770.881.12
Glycocholic Acid (GCA)_R4ME1657260.881.12
Glycocholic Acid (GCA)_R6ME1657280.881.12
2-PhenylglycineME1656470.901.10
O-Myristol-L-carnitine:HCl(N,N,N-trimethyl-D9)ME1658190.901.10
6-Quinolincarboxylic AcidME1656720.891.11
Glycocholic Acid (GCA)_R1ME1657230.891.11
1-METHYLADENOSINEME1656440.551.62
PEG n5ME1658250.361.64
GLYCOCHOLATEME1657220.631.32
Acetaminophen/Paracetamol_R2ME1656740.661.34
LysoPE (22:6)ME1657880.681.32
Glycocholic Acid (GCA)_R5ME1657270.791.27
Glycoursodeoxycholic acid (G-UDCA)_R2ME1657310.701.29
LidocaineME1657550.711.29
FormylkynurenineME1657130.731.27
METHYL INDOLE-3-ACETATEME1657900.741.26
Glycoursodeoxycholic acid (G-UDCA)_R1ME1657300.521.48
3-(2-HYDROXYPHENYL)PROPANOATEME1656480.601.40
5-Hydroxy-N-formylkynurenineME1656680.591.41

Factors:

F1VTE:no
F2VTE:yes
Data matrix
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