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Clustering data with hclust algorithm for (Study ST000953)
(Analysis AN001562)
Metabolite
Structure
F1
F2
F3
CARNOSINE_R2
ME236006
0.41
2.76
0.71
Ergothioneine
ME236030
1.88
0.22
0.51
4-GUANIDINOBUTANOATE
ME236157
1.32
1.08
0.61
THIAMINE
ME236126
1.33
1.07
0.60
5-AMINOLEVULINIC ACID_R3
ME236147
1.36
1.17
0.47
Phenylalanine-HCOOH
ME236106
1.34
1.11
0.55
RIBOFLAVIN
ME236116
1.38
1.11
0.51
4-IMIDAZOLEACETIC ACID
ME236160
1.41
0.99
0.59
Leu Pro_R1
ME236067
1.45
1.06
0.49
Phenylalanine
ME236105
1.56
0.97
0.61
AGMATINE SULFATE
ME235988
1.53
0.89
0.58
Leu Pro_R2
ME236068
1.51
0.88
0.60
L-CYSTATHIONINE_R2
ME236064
1.34
0.89
0.54
ASPARTATE_R2
ME235997
1.38
0.90
0.72
SEROTONIN_R1
ME236117
1.37
0.86
0.77
D-GLUCOSAMINE 6-PHOSPHATE
ME236025
1.37
0.95
0.67
HISTAMINE
ME236048
1.31
0.98
0.71
L-CYSTATHIONINE_R1
ME236063
1.31
0.98
0.71
PIPECOLATE/L-PIPECOLIC ACID_R1
ME236111
1.74
0.65
0.61
N-ACETYL-HEXOSAMINE
ME236088
2.04
0.86
0.36
6-Quinolincarboxylic Acid
ME236143
1.74
0.84
0.42
ALLANTOIN
ME235992
1.75
0.87
0.39
Kynurenic Acid
ME236054
1.59
1.00
0.41
Xanthurenic Acid
ME236139
1.70
1.06
0.24
CMP
ME236014
0.75
1.22
1.03
CYTOSINE_R2
ME236022
0.78
1.19
1.04
GLUCOSE/FRUCTOSE-PHOSPHATE
ME236038
0.75
1.19
1.06
HEXOSE-DISACCHARIDE_R2
ME236047
0.79
1.23
0.98
GLUCOSAMINE/MANNOSAMINE
ME236037
0.83
1.16
1.01
N-ALPHA-ACETYL-L-LYSINE
ME236092
0.80
1.20
1.00
2-hydroxyglutarate+Na
ME236165
0.80
1.19
1.01
2-hydroxyglutarate-water_R1
ME236166
0.81
1.19
1.00
CYTOSINE_R1
ME236021
0.93
1.15
0.91
DL-5-HYDROXYLYSINE
ME236027
0.92
1.18
0.90
3-UREIDOPROPIONATE
ME236163
0.87
1.19
0.93
2-hydroxyglutarate
ME236164
0.89
1.16
0.95
PYRIDOXAL
ME236115
0.90
1.17
0.92
ETHANOLAMINE PHOSPHATE
ME236031
0.90
1.17
0.93
N-ACETYLPUTRESCINE
ME236091
0.89
1.17
0.93
Allopurinol
ME235993
0.90
1.23
0.86
PUTRESCINE
ME236114
0.85
1.25
0.91
Stachydrine
ME236122
0.87
1.23
0.90
D-Ribose
ME236029
0.87
1.11
1.02
6-DEOXY-HEXOSE_R2
ME236142
0.91
1.10
0.99
L-CARNITINE
ME236062
0.89
1.09
1.01
Choline
ME236007
0.97
1.08
0.95
URIDINE-5-MONOPHOSPHATE
ME236138
0.96
1.13
0.91
Acetaminophen/Paracetamol_R2
ME235986
0.81
1.41
0.78
5-HYDROXY-L-TRYPTOPHAN_R3
ME236151
0.89
1.35
0.77
NICOTINAMIDE MONONUCLEOTIDE
ME236099
0.86
1.32
0.81
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
ME235994
0.70
1.33
0.97
5-hydroxyindoleacetic acid
ME236148
0.78
1.35
0.86
5,6-DIHYDROURACIL
ME236161
0.80
1.27
0.93
5-AMINOLEVULINIC ACID_R2
ME236146
0.79
1.30
0.91
L-KYNURENINE
ME236072
0.78
1.32
0.90
Lactose
ME236057
0.59
1.29
1.01
Dimer of Lactose
ME236026
0.48
1.35
1.17
Lactose+K
ME236058
0.53
1.25
1.22
SN-GLYCEROL 3-PHOSPHATE
ME236120
0.45
1.27
1.28
HEXOSE-DISACCHARIDE_R1
ME236046
0.65
1.18
1.17
5-Hydroxymethyl-2-furaldehyde
ME236152
0.67
1.14
1.19
CYTIDINE
ME236018
0.69
1.15
1.16
ALANINE/SARCOSINE
ME235989
0.70
1.13
1.16
(R)-MALATE
ME236170
0.71
1.14
1.15
URIDINE
ME236137
0.63
1.24
1.13
N-ACETYLGLYCINE
ME236087
0.68
1.21
1.11
N-ACETYL-L-ASPARTIC ACID
ME236089
0.73
1.22
1.10
PICOLINIC ACID
ME236110
0.70
1.03
1.26
Isocytosine
ME236053
0.73
1.09
1.18
5-OXO-L-PROLINE
ME236154
0.75
1.06
1.19
N-ACETYL-DL-GLUTAMIC ACID
ME236085
0.74
1.05
1.21
NICOTINAMIDE
ME236098
0.75
1.05
1.21
CYTIDINE 5^-DIPHOSPHOCHOLINE
ME236020
0.86
1.06
1.09
GLYCEROL
ME236040
0.83
1.08
1.08
GUANIDINOACETATE
ME236044
0.77
1.13
1.10
Proprionylcarnitine
ME236113
0.79
1.08
1.13
GLUTARATE
ME236039
0.52
0.97
1.18
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R1
ME236035
0.54
1.03
1.43
CYTIDINE 2^,3^-CYCLIC MONO-PHOS-PHATE
ME236019
0.61
1.08
1.31
TYRAMINE
ME236134
0.62
1.06
1.32
ISOCITRIC ACID_R1
ME236051
1.06
0.73
1.20
L-ALLOTHREONINE
ME236059
0.96
0.84
1.20
Citrate source fragment (+NH3)_R1
ME236009
1.05
0.87
1.08
Citrate+Na
ME236011
1.01
0.89
1.10
Citrate source fragment (+H and + NH3)
ME236008
1.02
0.86
1.12
Citrate source fragment (+NH3)_R2
ME236010
1.02
0.87
1.11
L-Cystine
ME236066
0.93
0.93
1.14
Trigonelline
ME236129
0.87
1.00
1.13
URACIL
ME236135
0.83
1.00
1.17
PEG n5
ME236104
0.78
0.89
1.33
4-HYDROXY-L-PHENYLGLYCINE_R2
ME236159
0.85
0.90
1.21
7-(b-Hydroxyethyl)theophylline
ME236144
0.82
0.80
1.26
GLYCINE
ME236042
1.24
0.87
0.89
CREATINE
ME236015
1.25
0.84
0.90
DOPAMINE
ME236028
1.26
0.83
0.91
ASPARTATE_R1
ME235996
1.37
0.76
0.86
ORNITHINE
ME236101
1.31
0.83
0.86
5-HYDROXY-L-TRYPTOPHAN_R2
ME236150
1.36
0.80
0.84
L-PROLINE
ME236079
1.35
0.83
0.82
L-ARGININE
ME236060
1.17
0.93
0.90
Pantothenic Acid
ME236103
1.16
0.92
0.92
Anthranilate
ME235995
1.10
0.95
0.95
BOC-D-Phenylalanine_R2
ME235999
1.12
0.94
0.95
C5-SUGAR ALCOHOL
ME236003
1.12
0.95
0.93
Citrate+NH3
ME236012
1.08
0.87
1.05
ISOCITRIC ACID_R2
ME236052
1.09
0.89
1.02
4-AMINOBUTANOATE (GABA)_R2
ME236156
1.18
0.85
0.97
Creatine-D3_R2
ME236017
1.13
0.85
1.02
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R2
ME236036
1.14
0.87
0.99
N(PAI)-METHYL-L-HISTIDINE
ME236083
1.12
1.04
0.84
Methionine Sulfoxide
ME236081
1.09
1.05
0.86
Orthophosphate
ME236102
1.10
1.06
0.84
ALDOPENTOSE
ME235991
1.06
1.01
0.93
N-ACETYL-DL-SERINE
ME236086
1.08
1.02
0.91
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
ME236097
1.08
1.03
0.89
Butyrylcarnitine
ME236002
1.02
1.09
0.88
Isobutyrylcarnitine
ME236050
1.05
1.06
0.90
ADENOSINE
ME235987
1.02
1.05
0.93
PHOSPHOCHOLINE_R2
ME236109
1.03
1.05
0.91
Formyl-5-hydroxykynurenamine
ME236032
1.01
0.97
1.02
TAURINE
ME236125
1.01
0.96
1.03
5-Hydroxy-N-formylkynurenine
ME236153
1.03
0.93
1.04
Formylkynurenine_R1
ME236033
1.03
0.94
1.02
BOC-D-Phenylalanine_R1
ME235998
1.03
0.99
0.98
L-CYSTEINE
ME236065
1.03
0.97
1.00
L-SERINE
ME236080
1.08
0.98
0.94
N-BOC-L-Tryptophan
ME236096
1.05
0.97
0.97
5-AMINOLEVULINIC ACID_R1
ME236145
1.07
0.97
0.96
Formylkynurenine_R2
ME236034
1.07
0.96
0.97
4-AMINOBUTANOATE (GABA)_R1
ME236155
0.97
0.96
1.07
L-Leucine 13C6
ME236076
0.94
1.00
1.06
(S)-NICOTINE
ME236171
0.93
1.07
1.00
L-GLUTAMINE
ME236069
0.97
1.04
0.99
N-BOC-L-Aspartic Acid_R1
ME236093
0.96
1.04
1.00
ALDO/KETO-HEXOSE
ME235990
0.93
1.04
1.03
Caffeine-D3
ME236004
0.95
1.04
1.02
SUCCINATE
ME236124
1.03
1.01
0.95
N-BOC-L-tert-Leucine
ME236095
1.00
1.04
0.96
PHOSPHOCHOLINE_R1
ME236108
1.02
1.03
0.96
Tryptophan-2,3,3-D3-NH3
ME236132
1.01
1.02
0.97
BUTYROBETAINE
ME236001
0.97
0.99
1.03
THYMINE
ME236128
0.98
0.99
1.03
BOC-L-Tyrosine
ME236000
1.00
1.00
1.00
Creatine-D3_R1
ME236016
1.00
0.99
1.01
N-BOC-L-Aspartic Acid_R2
ME236094
0.99
1.02
0.99
Tryptophan-2,3,3-D3
ME236131
0.99
1.01
1.00
2-Phenylglycine
ME236168
1.03
1.19
0.79
LL-2,6-DIAMINOHEPTANEDIOATE_R1
ME236073
1.02
1.13
0.84
Glycerophosphocholine
ME236041
1.16
1.03
0.81
Glycyl-L-leucine
ME236043
1.17
1.02
0.81
L-Isoleucine
ME236071
1.19
0.98
0.82
3-HYDROXYKYNURENINE
ME236162
1.16
1.00
0.84
THREONINE/HOMOSERINE
ME236127
1.17
0.97
0.86
PIPECOLATE/L-PIPECOLIC ACID_R2
ME236112
1.22
0.93
0.85
SEROTONIN_R2
ME236118
1.23
0.93
0.85
6-DEOXY-HEXOSE_R1
ME236141
1.27
0.96
0.77
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
ME236173
1.24
0.95
0.81
N-METHYL-D-ASPARTIC ACID
ME236100
1.23
0.95
0.82
HYPOXANTHINE
ME236049
1.23
0.98
0.80
L-HISTIDINE
ME236070
1.22
0.98
0.79
1,3-DIAMINOPROPANE
ME236172
1.10
1.17
0.73
CARNOSINE_R1
ME236005
1.15
1.11
0.74
L-METHIONINE
ME236078
1.12
1.09
0.79
SEROTONIN-NH3
ME236119
1.12
1.10
0.77
N-Acetyl-Arginine
ME236084
1.21
1.08
0.70
Tryptophan
ME236130
1.19
1.11
0.70
5-HYDROXY-L-TRYPTOPHAN_R1
ME236149
1.20
1.12
0.68
Tryptophan-NH3
ME236133
1.20
1.13
0.67
LL-2,6-DIAMINOHEPTANEDIOATE_R2
ME236074
1.19
1.06
0.74
Source Fragment TRP
ME236121
1.17
1.07
0.76
L-ASPARAGINE
ME236061
1.18
1.05
0.76
L-LYSINE
ME236077
1.18
1.04
0.78
HEXOSE-6-PHOSPHATE
ME236045
1.24
1.03
0.73
L-LEUCINE
ME236075
1.23
1.06
0.76
3,4-DIHYDROXY-L-PHENYLALANINE
ME236169
0.69
1.53
0.78
4-HYDROXY-L-PHENYLGLYCINE_R1
ME236158
0.64
1.59
0.77
Acetaminophen/Paracetamol_R1
ME235985
0.53
1.62
0.85
L-(+)-Lactic Acid_R1
ME236055
0.63
1.43
0.94
2-hydroxyglutarate-water_R2
ME236167
0.59
1.52
0.89
PHOSPHO(ENOL)PYRUVIC ACID
ME236107
0.56
1.52
0.92
METHYL BETA-D-GALACTOSIDE
ME236082
0.90
1.50
0.60
N-ACETYLNEURAMINATE
ME236090
1.03
1.45
0.52
D-(+)-GALACTOSAMINE
ME236023
1.15
1.27
0.58
URATE
ME236136
1.23
1.38
0.40
CITRULLINE
ME236013
0.55
0.84
1.61
L-(+)-Lactic Acid_R2
ME236056
NA
1.11
0.89
STACHYOSE
ME236123
0.18
1.34
1.48
6C-SUGAR ALCOHOL
ME236140
0.28
1.42
1.30
D-(+)-RAFFINOSE
ME236024
0.26
1.35
1.39
Factors:
F1
Treatment:ACC
F2
Treatment:RCH
F3
Treatment:RT
Data matrix
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