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Clustering data with hclust algorithm for (Study ST000922)
(Analysis AN001511)
Metabolite
Structure
F1
F2
N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide_R2
ME232801
1.08
0.92
Aceclidine
ME232704
1.08
0.92
2_2^-Iminodipropanoate
ME232659
1.08
0.92
7-Aminomethyl-7-deazaguanine
ME232695
1.08
0.92
Acetyl-beta-methylcholine
ME232707
1.09
0.91
PEG n5_R1
ME232824
1.09
0.91
tranexamic acid_R1
ME232848
1.12
0.88
gamma-Glutamylleucine
ME232759
1.12
0.88
3-Dehydrocarnitine_R2
ME232673
1.12
0.88
4,4-Dimethyl-5-(methylcarbamoyloxyimino)valeronitrile
ME232680
1.12
0.88
tyramine sulfate_R2
ME232858
1.13
0.87
3-Dehydrocarnitine_R3
ME232674
1.13
0.87
L-Alanyl-L-proline
ME232779
1.13
0.87
N-alpha-L-Acetyl-arginine
ME232806
1.10
0.90
2-Amino-4-[(4-aminobutyl)amino]butanoic acid
ME232662
1.10
0.90
Leucine_R1
ME232780
1.10
0.90
L(-)-Carnitine
ME232778
1.11
0.89
g-Aminobutyryl-lysine
ME232757
1.11
0.89
3-Dehydrocarnitine_R4
ME232675
1.11
0.89
DL-Stachydrine_R2
ME232748
1.11
0.89
Arecoline
ME232717
0.97
1.03
D-Phenylalanine
ME232749
0.98
1.02
Trigonelline_R2
ME232853
0.98
1.02
DL-Carnitine_R3
ME232746
1.01
0.99
Taurine
ME232845
1.01
0.99
Hypoxanthine_R1
ME232770
0.99
1.01
DL-Carnitine_R2
ME232745
0.99
1.01
1,4-Dimethylimidazole
ME232652
0.99
1.01
Acetylcholine_R3
ME232710
0.99
1.01
Trigonelline_R1
ME232852
1.00
1.00
Pregabalin_R1
ME232834
1.00
1.00
Benzimidazole
ME232721
1.00
1.00
Paracetamol_R2
ME232821
1.00
1.00
Nicotinamide
ME232812
1.03
0.97
Ectoine
ME232750
1.03
0.97
deoxyhypusine
ME232739
1.03
0.97
3-Guanidinopropanoate
ME232676
1.03
0.97
Anhydroecgonine methyl ester
ME232716
1.03
0.97
Zalcitabine
ME232875
1.05
0.95
tybamate
ME232855
1.05
0.95
tranexamic acid_R2
ME232849
1.05
0.95
methyprylon_R3
ME232794
1.05
0.95
DL-Stachydrine_R1
ME232747
1.05
0.95
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol
ME232679
1.05
0.95
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_R2
ME232636
1.05
0.95
4-Methylene-L-glutamine
ME232689
1.05
0.95
(2S)-2-Amino-8-hydroxyoctanoic acid_R2
ME232638
1.07
0.93
N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide_R1
ME232800
1.07
0.93
Cholinesulfate_R1
ME232730
1.06
0.94
gamma-L-Glutamylputrescine_R2
ME232761
1.06
0.94
Tetrahydro-2-thiophenylacetic acid
ME232847
1.14
0.86
formyl-isoglutamine
ME232754
1.15
0.85
tetrahomomethionine
ME232846
1.15
0.85
(2S)-2-Amino-8-hydroxyoctanoic acid_R3
ME232639
1.19
0.81
Choline_R2
ME232729
1.19
0.81
Xanthurenic acid_R2
ME232872
1.18
0.82
Gabapentin_R2
ME232756
1.18
0.82
PEG n5_R2
ME232825
1.18
0.82
Valpromide_R2
ME232867
1.16
0.84
afegostat
ME232715
1.16
0.84
Cholinesulfate_R2
ME232731
1.16
0.84
Hexanoylglycine_R1
ME232767
1.17
0.83
DL-Carnitine_R1
ME232744
1.17
0.83
Asparaginyl-4-hydroxyproline
ME232718
1.17
0.83
Deoxyuridine
ME232741
1.17
0.83
Hypusine
ME232772
1.20
0.80
Betaine
ME232722
1.20
0.80
8-Amino-7-oxononanoate_R2
ME232700
1.20
0.80
1-Pyrroline-4-hydroxy-2-carboxylate
ME232657
1.20
0.80
(2S)-2-Amino-8-hydroxyoctanoic acid_R4
ME232640
1.20
0.80
Methylimidazoleaceticacid_R2
ME232790
1.21
0.79
dl-Bamethane
ME232743
1.21
0.79
Acetyl-L-carnitine_R1
ME232711
1.21
0.79
4-Nitroaniline
ME232690
1.21
0.79
(2S)-2-Amino-8-hydroxyoctanoic acid_R1
ME232637
1.21
0.79
3-Dehydrocarnitine_R1
ME232672
1.21
0.79
trihomomethionine
ME232854
1.23
0.77
gamma-L-Glutamylputrescine_R1
ME232760
1.23
0.77
2-Methylcholine
ME232666
1.23
0.77
Choline_R1
ME232728
1.23
0.77
n-Hexanamide_R1
ME232809
1.22
0.78
methyprylon_R2
ME232793
1.22
0.78
lys-thr
ME232785
1.22
0.78
Guvacoline
ME232765
1.22
0.78
6-Acetamido-3-aminohexanoate
ME232692
1.22
0.78
Acetylcholine_R2
ME232709
1.22
0.78
2-Amino-4-[(3-aminopropyl)amino]butanoic acid
ME232661
1.25
0.75
3-Methylcrotonylglycine
ME232677
1.25
0.75
Deoxyribosetriphosphate
ME232740
1.24
0.76
methyprylon_R1
ME232792
1.24
0.76
tyramine sulfate_R1
ME232857
1.28
0.72
Pregabalin_R2
ME232835
1.27
0.73
Acetophenone_R2
ME232706
1.27
0.73
Mercaptoethanol
ME232788
1.27
0.73
Gabapentin_R1
ME232755
1.26
0.74
n-Hexanamide_R2
ME232810
1.26
0.74
Sulfanilic acid
ME232844
1.41
0.59
4-[(E)-2-{[1-Carboxy-3-(methylsulfinyl)propyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid
ME232681
1.42
0.58
delta-Guanidinovalericacid
ME232738
1.42
0.58
Methylimidazoleaceticacid_R3
ME232791
1.40
0.60
2-Amino-4-hydroxypteridine-6-carbaldehyde
ME232663
1.39
0.61
3-[(2-Methylbutanoyl)oxy]-4-(trimethylammonio)butanoate
ME232670
1.39
0.61
Aciclovir
ME232713
1.38
0.62
Imagabalin
ME232773
1.38
0.62
RiboflavinB2
ME232842
1.34
0.66
Prolylleucine
ME232838
1.36
0.64
Tyramine
ME232856
1.35
0.65
Psilocybin
ME232840
1.35
0.65
MDMA Methylene homolog
ME232786
1.35
0.65
Propionylcarnitine
ME232839
1.35
0.65
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_R1
ME232635
1.31
0.69
UNII:V18J24E25E
ME232864
1.31
0.69
Phenacetin_R2
ME232833
1.32
0.68
Prenyl-L-cysteine
ME232836
1.32
0.68
Methylimidazoleacetic acid_R1
ME232789
1.29
0.71
tranexamic acid_R3
ME232850
1.30
0.70
1-(4-Methoxyphenyl)piperazine
ME232649
1.95
0.05
N-(5-Aminopentyl)acetamide_R2
ME232798
1.79
0.21
1,6-Dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
ME232653
1.82
0.18
Xanthopterin-B2
ME232870
1.81
0.19
2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinecarboxylic acid
ME232664
1.65
0.35
Kynurenic acid
ME232777
1.65
0.35
6-Acetyl-2-amino-1,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]diazepin-4-one
ME232693
1.63
0.37
Butyryl-L-carnitine
ME232725
1.62
0.38
(4R)-4-{[3-(2-Aminoethyl)-1H-indol-5-yl]methyl}-1,3-oxazolidin-2-one
ME232642
1.71
0.29
4-Hydroxy-5-[(E)-(hydroxymethylene)amino]-6-iminio-2-imino-1,2,5,6-tetrahydropyrimidin-5-ide
ME232685
1.68
0.32
(R)-1-Aminopropan-2-ol
ME232645
1.69
0.31
Valpromide_R1
ME232866
1.55
0.45
2-oxo-1_2-dihydroquinoline-4-carboxylate
ME232668
1.57
0.43
N-(5-Aminopentyl)acetamide_R1
ME232797
1.59
0.41
Biopterin
ME232724
1.45
0.55
Xanthurenic acid_R1
ME232871
1.46
0.54
(5R,6S)-3-[(2-Aminoethyl)sulfanyl]-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
ME232644
1.49
0.51
N-(1-{[Methyl(2-methyl-2-propanyl)carbamoyl]amino}ethyl)-alpha-asparagine
ME232795
1.49
0.51
Xanthurenic acid_R3
ME232873
1.50
0.50
Acetylcholine_R1
ME232708
1.50
0.50
(S)-Carnitine
ME232648
1.50
0.50
L-Indospicine
ME232782
1.51
0.49
Acetophenone_R1
ME232705
1.53
0.47
Valpromide_R3
ME232868
1.52
0.48
Valyl-4-hydroxyproline
ME232869
1.52
0.48
mebutamate
ME232787
0.33
1.67
N,N-Diisopropylethylamine (DIPEA)
ME232802
0.32
1.68
4-Amino-N^-hydroxypyrimidine-5-carboximidamide
ME232683
0.24
1.76
8-[(Carboxymethyl)amino]-8-oxooctanoic acid
ME232698
0.26
1.74
(S-(R*,R*))-3-((1-Carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic Acid
ME232646
0.07
1.93
tyramine sulfate_R3
ME232859
0.09
1.91
2_4-Dinitrophenylhydrazine
ME232660
0.19
1.81
gln-lys
ME232762
0.17
1.83
S_S-Dimethyl-beta-propiothetin
ME232843
0.16
1.84
N-Methylpyridinium
ME232813
0.90
1.10
N5-Ethyl-L-glutamine
ME232803
0.90
1.10
Acetyl-L-carnitine_R2
ME232712
0.90
1.10
1-Methyladenine
ME232656
0.90
1.10
8-Amino-7-oxononanoate_R1
ME232699
0.90
1.10
Phenacetin_R1
ME232832
0.91
1.09
PEG n6_R2
ME232827
0.91
1.09
5-Methylcytosine
ME232691
0.91
1.09
Paracetamol_R1
ME232820
0.91
1.09
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid
ME232671
0.95
1.05
N-alpha-Acetylarginine
ME232805
0.94
1.06
Glycylproline
ME232763
0.94
1.06
7-Methoxy-2-methylene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
ME232696
0.94
1.06
7-Methylguanine
ME232697
0.94
1.06
n-Hexanamide
ME232811
0.93
1.07
PEG n6_R1
ME232826
0.93
1.07
1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide
ME232650
0.79
1.21
Pantothenicacid(VitaminB5)_R2
ME232819
0.79
1.21
PEG n8
ME232830
0.78
1.22
Adenine
ME232714
0.78
1.22
DEET
ME232737
0.78
1.22
N(6),N(6)-Dimethyladenine
ME232799
0.75
1.25
(S)-1-Pyrroline-5-carboxylate
ME232647
0.76
1.24
Ethyl N-acetyl-N-butyl-beta-alaninate_R2
ME232753
0.76
1.24
gamma-Glutamyl-gamma-aminobutyraldehyde
ME232758
0.76
1.24
Caprolactam
ME232726
0.82
1.18
4-Methylene-L-glutamate
ME232688
0.81
1.19
N-Undecanoylglycine_R1
ME232815
0.81
1.19
N-Acetylputrescine
ME232804
0.84
1.16
PEG n6_R3
ME232828
0.83
1.17
Creatinine
ME232732
0.83
1.17
Leucine_R2
ME232781
0.83
1.17
3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine
ME232669
0.87
1.13
8-Amino-7-oxononanoate_R4
ME232702
0.88
1.12
4-Aminohippuricacid
ME232682
0.88
1.12
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol
ME232694
0.88
1.12
Pantothenicacid(VitaminB5)_R1
ME232818
0.85
1.15
UNII:OG645J8RVW
ME232863
0.86
1.14
2,2,6,6-Tetramethyl-4-piperidinol
ME232658
0.62
1.38
Hexanoylglycine_R2
ME232768
0.62
1.38
Proclavaminicacid
ME232837
0.64
1.36
p-cymene
ME232822
0.64
1.36
(3R,6R)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-methylbutanoate
ME232641
0.64
1.36
beta-Ionone
ME232723
0.64
1.36
Cytosine_R2
ME232736
0.65
1.35
Hexylamine
ME232769
0.65
1.35
ionene
ME232776
0.66
1.34
Hypoxanthine_R2
ME232771
0.66
1.34
Imidazoleacetic acid
ME232774
0.66
1.34
Indole;1-Benzazole
ME232775
0.67
1.33
p-Xylene
ME232841
0.67
1.33
UNII:BI845A018T
ME232862
0.72
1.28
Linoleoyl Ethanolamide
ME232783
0.72
1.28
Dihydrothymine
ME232742
0.72
1.28
Heptanophenone
ME232766
0.72
1.28
2-Amino-7-methyl-7,9-dihydro-1H-purine-6,8-dione
ME232665
0.74
1.26
Cyprodenate_R1
ME232733
0.73
1.27
PEG n9
ME232831
0.73
1.27
1,3-Diisopropylbenzene
ME232651
0.70
1.30
Valerolactam
ME232865
0.70
1.30
8-Amino-7-oxononanoate_R3
ME232701
0.69
1.31
4-(Heptyloxy)phenol
ME232678
0.69
1.31
(5E,7E)-Dodecadienal
ME232643
0.69
1.31
UNII:212JQJ15PS
ME232860
0.68
1.32
trans-Methyl dihydrojasmonate
ME232851
0.68
1.32
Cyprodenate_R2
ME232734
0.68
1.32
N-Undecanoylglycine_R2
ME232816
0.68
1.32
4-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic acid_R1
ME232686
0.45
1.55
n-Amylbenzene
ME232807
0.45
1.55
L-Prolinamide
ME232784
0.47
1.53
N-(4-Carbamimidamidobutyl)acetamide
ME232796
0.47
1.53
1_2_4-Trimethylbenzene
ME232654
0.39
1.61
8-Oxocoformycin
ME232703
0.40
1.60
Xanthurenic acid_R4
ME232874
0.43
1.57
carisoprodol
ME232727
0.42
1.58
Guanine
ME232764
0.42
1.58
Erucamide
ME232751
0.52
1.48
2-Methylguanosine
ME232667
0.50
1.50
UNII:6S7S02945H
ME232861
0.50
1.50
Oleoylethanolamide
ME232817
0.51
1.49
N-Carbamoylputrescine
ME232808
0.51
1.49
Asulam
ME232719
0.51
1.49
Cytosine_R1
ME232735
0.51
1.49
4-Guanidinobutanal
ME232684
0.55
1.45
PEG n7
ME232829
0.55
1.45
4-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic acid_R2
ME232687
0.54
1.46
Ethyl N-acetyl-N-butyl-beta-alaninate_R1
ME232752
0.54
1.46
N-Tridecanoylglycine
ME232814
0.57
1.43
PEG n10
ME232823
0.57
1.43
Benserazide
ME232720
0.59
1.41
1-Hexadecanoylpyrrolidine
ME232655
0.58
1.42
(-)-Lupinine
ME232634
0.58
1.42
Factors:
F1
Diet:mud crab diet
F2
Diet:oyster diet
Data matrix
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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