Clustering data with hclust algorithm for (Study ST003600)

(Analysis AN005915)
MetaboliteStructureF1F2F3
LevofloxacinME9338760.022.940.04
N.pi.-Methyl-L-histidineME9338472.260.100.65
Hexadecasphinganine_1ME9338992.370.210.41
NitrosoguvacolineME9338512.290.220.49
CyprodenateME9337842.280.350.38
L-HistidineME9337722.200.340.47
Acetyl-L-carnitineME9337802.570.040.40
DihydrothymineME9337872.600.190.21
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanineME9338412.610.200.20
AcetylcholineME9337532.560.160.28
DL-OrnithineME9337402.630.110.26
beta-Alanyl-L-arginineME9337512.990.010.01
CarnosineME9337342.980.010.01
4-phenylsemicarbazideME9338572.960.020.02
AcetylarginineME9338132.970.020.01
5-Nitro-o-toluidineME9337702.910.020.07
3-MethylhistidineME9337672.930.010.06
EctoineME9337472.940.020.04
Creatine_2ME9337762.830.040.13
Allopurinol_2ME9338112.830.010.16
Inosine-5^-monophosphateME9337562.840.010.15
Gly-LeuME9338882.760.160.08
2-Amino-4-methylpyrimidineME9338212.730.120.16
Creatine_1ME9337322.730.070.21
PropamME9339100.630.501.87
D-PANTOTHENIC ACIDME9337750.530.561.91
N-methylethanolamine phosphate_1ME9339410.510.531.95
5-Indolol_3ME9339450.450.721.82
L-(+)-Aspartic acidME9339150.470.781.75
AdenylthiomethylpentoseME9339420.660.631.71
meglumine_2ME9339760.630.631.74
dihydralazine_2ME9339130.690.751.56
3-[(2,6-Dimethylheptanoyl)oxy]-4-(trimethylammonio)butanoateME9340250.620.781.60
isopentenyl phosphate_2ME9340360.650.811.54
Cytidine 5^-monophosphate (hydrate)_2ME9338970.120.911.98
Adenosine 5^-monophosphateME9337860.270.901.83
CyromazineME9339020.201.061.75
NorepinephrineME9338150.121.281.60
5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide_1ME9338400.111.221.67
Cytidine 5^-monophosphate (hydrate)_1ME9338010.161.171.68
11-Aminoundecanoic acidME9338700.261.231.51
dihydralazine_1ME9338580.191.351.46
Isocytosine_2ME9338340.431.101.47
Uracil_1ME9338020.431.161.41
methylphenylsulfoxideME9338630.401.041.56
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedioneME9337950.470.941.59
GabapentinME9339320.480.921.60
D-benzylpenicilloic acidME9338030.020.162.82
EpicillinME9338250.030.032.94
2-Methyl-4-quinolinolME9339140.070.502.43
N-Acetyl-L-aspartic acidME9337980.140.532.33
Citric acidME9337930.300.212.49
HexitolME9338120.180.322.50
TURMERONE, AR-ME9337900.260.322.42
N-Acetyl-L-histidineME9338790.590.062.35
(1S,4aS)-1,4a-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene_2ME9339550.590.352.06
AllantoinME9338720.680.222.10
isopentenyl phosphate_1ME9339510.350.522.13
N-methylethanolamine phosphate_2ME9339530.440.412.15
2-Ethylhexyl 4-hydroxybenzoate_1ME9337880.340.332.33
5-Indolol_1ME9338740.380.322.30
phosphoethanolamineME9338550.490.232.28
RasagilineME9339580.510.282.21
oxiracetamME9338500.281.601.12
CholineME9337350.241.541.23
Guanosine monophosphateME9337850.171.501.32
L-alpha-GlycerylphosphorylcholineME9337581.021.740.24
2-(4-Methylthiazol-5-yl)ethyl butyrateME9337640.761.950.29
methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromideME9338230.751.830.42
3-methylthymineME9337740.372.320.31
GlycerylphosphorylethanolamineME9338080.132.250.62
Guanine_1ME9337960.221.890.90
CytarabineME9337590.121.940.94
Isocytosine_1ME9337780.161.860.98
2-Isopropyl-6-methoxypyrazineME9338800.351.860.78
Piperonylic acidME9339700.361.860.78
2^-O-MethyladenosineME9339370.282.010.72
Guanine_2ME9338260.282.100.62
3-(4-Methyl-3-pentenyl)thiopheneME9338350.541.720.74
4-oneME9337810.621.760.62
Uracil_2ME9339160.432.120.45
Benzamide_1ME9337910.491.920.60
Benzamide_2ME9337920.501.960.54
lauric acidME9338460.512.000.49
6-O-Phosphonohex-2-ulofuranoseME9338871.160.511.34
Geranyl formateME9338861.190.571.24
Methyl 9-oxononanoateME9339951.220.511.27
2,6-di-tert-butylhydroquinone_2ME9339621.190.661.15
GabaculineME9339461.220.601.18
ionene_3ME9340481.130.651.22
Urocanic acidME9339301.120.641.25
6-Deoxy-3-O-methyl-beta-D-galactopyranose_1ME9340221.090.721.20
1-(3-Heptyl-2-oxiranyl)-7-octene-2,4-diyne-1,6-diol_2ME9339661.120.691.19
AbhexonME9340121.140.681.18
8-Amino-7-oxononanoic acidME9340021.350.501.15
cis-4-Hydroxycyclohexylacetic acidME9339601.330.501.17
1,5-Dimethylbicyclo(3.2.1)octan-8-one oximeME9339861.420.541.04
(1S,4aS)-1,4a-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene_3ME9339771.340.651.01
4-Methyl-2-propyltetrahydro-2H-pyran-4-yl acetateME9339941.380.650.96
Beta-Nicotinamide mononucleotideME9339111.270.281.45
TaurineME9338331.260.331.41
BenserazideME9338600.830.491.68
FurfuralME9337941.010.311.68
2-(12-Tridecyn-1-yl)furanME9339041.080.421.50
N-methylethanolamine phosphate_3ME9339670.980.431.60
Phosphoric acidME9338050.661.410.92
3-Hydroxyoctanoic acid_3ME9340230.731.350.92
3-oxopalmitic acidME9339710.711.390.90
2-MethylindoleME9339980.691.350.96
5-Ethyl-4-hydroxy-3(2H)-furanoneME9338190.711.310.97
ethyl adipateME9338300.711.320.97
(+)-D-IsosorbideME9338390.671.301.03
DIHYDROFARNESOLME9339930.711.261.03
SesquicineoleME9340500.721.271.01
HexadecanamideME9338660.771.161.06
10,16-Dihydroxyhexadecanoic acidME9339750.761.221.02
zopicloneME9338060.751.201.05
6,9a-Dihydroxy-3,5a-dimethyl-9-methylenedecahydronaphtho[1,2-b]furan-2(3H)-oneME9339390.661.201.14
Palmitamide_2ME9339560.731.141.13
Phenylglyoxylic acidME9339080.541.520.93
PyridoxalME9339050.571.480.95
5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanoneME9338450.741.550.71
octylphenol polyethoxylatesME9339740.701.540.76
NadololME9339030.811.460.73
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentanoic acid (non-preferred name)ME9338420.771.430.80
Palmitelaidic acidME9339610.811.380.82
2-DecylfuranME9338440.991.270.73
Hydroxycitronellal diethyl acetalME9339471.001.230.77
meglumine_3ME9339910.911.290.80
4-ACETAMIDOBUTYRIC ACIDME9337890.861.260.88
Diethylhexyl adipate_2ME9340400.911.220.87
senkyunolide BME9338171.061.090.86
1-(1-Ethyl-1H-pyrrol-2-yl)ethanone_2ME9340041.011.100.89
(2S)-2-Amino-8-hydroxyoctanoic acidME9338751.031.100.87
LavandulolME9337331.021.120.86
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol_2ME9339901.091.100.81
.beta.-EstradiolME9339261.081.090.83
Palmitoleic acidME9338841.091.130.79
PenbutololME9339351.061.130.81
(2S,8R)-2-Amino-8-hydroxydecanoic acid_3ME9340241.011.160.83
Pivagabine_2ME9340171.051.170.78
p-Benzoquineone dioximeME9340281.161.020.82
2-Aminonicotinic acidME9338681.181.060.76
Amide C18ME9339991.181.040.78
3-Mercapto-3-methylbutyl acetateME9340071.101.050.85
Dioctyldimethylammonium chlorideME9339361.130.990.88
L-PhenylalanineME9337501.121.000.88
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol_1ME9338621.111.020.87
(2S,8R)-2-Amino-8-hydroxydecanoic acid_6ME9340451.101.010.89
DicyclohexylamineME9338561.090.970.94
SpermineME9337621.100.960.94
L-(+)-norleucineME9337991.160.930.91
Palmitamide_1ME9339481.160.960.89
LorbamateME9338270.951.051.00
PhenmetrazineME9340420.941.080.98
9,10-EPOXYSTEARIC ACID_1ME9339571.001.030.97
Vanillyl alcohol_2ME9340380.981.060.96
1-TetradecylamineME9338290.991.080.94
dihydrobunololME9338640.971.090.94
Dibutyl phthalateME9337480.961.110.93
Elaeokanine C_2ME9339850.941.140.92
Diisobutyl adipateME9337410.931.170.90
N-methylethanolamine phosphate_5ME9340310.891.170.94
oxybutyninME9339650.891.200.91
AtagabalinME9338090.970.971.06
Damascenone_3ME9340160.940.991.07
Vanillyl alcohol_1ME9340010.911.061.03
Crotanecine_4ME9340100.941.021.05
ionene_2ME9340260.911.031.06
Triethyl phosphateME9337690.930.931.14
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamideME9340130.870.981.15
Damascenone_1ME9339640.890.971.14
cis-2-Carboxycyclohexyl-acetic acidME9340200.911.001.09
(2E)-2-Tetradecenal_1ME9339440.910.981.11
Crotanecine_2ME9339780.900.991.11
Crotanecine_1ME9339250.851.131.02
(−)-trans-Methyl dihydrojasmonateME9338360.841.101.05
Dibutyl sebacateME9339190.831.081.09
trans-p-CoumaraldehydeME9339070.791.081.12
DL-Mevalonic acidME9340390.811.061.13
Ketoleucine_2ME9340140.831.061.11
2-Ethylhexyl 4-hydroxybenzoate_2ME9340150.831.031.14
7,14,16-Trihydroxy-3-(hydroxymethyl)-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-oneME9338380.861.041.10
Citroflex 4ME9338280.871.031.10
(2S,8R)-2-Amino-8-hydroxydecanoic acid_4ME9340341.160.801.03
Ketoleucine_1ME9340091.180.811.01
1-Isopropenyl-3-isopropylbenzeneME9339201.170.761.07
Crotanecine_3ME9339821.200.761.04
5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide_2ME9340491.250.810.93
3,4-DihydrocadaleneME9340371.260.731.01
D-(+)-Pyroglutamic AcidME9337631.300.750.95
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanoneME9338521.110.791.10
Homovanillic acidME9339221.090.781.13
AllylamineME9338911.050.831.12
2-Ethylhexyl 4-hydroxybenzoate_3ME9340351.010.891.10
6-Deoxy-3-O-methyl-beta-D-galactopyranose_2ME9340431.010.861.13
Palmitelaidic acid methyl esterME9338941.050.970.98
2,4-Dimethyl-5,6,7,8-tetrahydroquinolineME9340471.020.990.99
Bis(methylbenzylidene)sorbitolME9338821.020.990.99
D-Xylonolactone_2ME9340061.020.971.00
Bis(2-ethylhexyl) amineME9339211.030.961.01
Citroflex A-4ME9338371.030.961.00
Damascenone_2ME9339841.000.961.03
N-methylethanolamine phosphate_6ME9340461.010.931.06
2-(Diethylamino)ethanolME9338431.160.860.98
fosetylME9340211.130.910.96
TiforminME9338321.050.871.08
TexanolME9337661.060.891.06
Diethylhexyl adipate_1ME9339521.070.861.06
Propyl benzoateME9338901.070.871.06
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl acetateME9340441.090.911.00
(+/-)-MusconeME9340111.080.911.01
5-Indolol_4ME9339921.110.881.01
meglumine_4ME9340081.110.851.03
(1S,4aS)-1,4a-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene_1ME9339241.010.611.37
tridec-2-enal_1ME9339721.020.631.36
5-Indolol_2ME9339280.990.531.48
3,4-MethylenedioxyamphetamineME9340330.880.611.52
Clavam-2-carboxylateME9338830.910.571.52
4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohexanediolME9339591.000.761.24
(2E)-2-Tetradecenal_2ME9340291.000.721.28
D-Xylonolactone_1ME9338931.040.711.25
DinitrosopentamethylenetetramineME9340300.930.811.26
Triphenyl phosphateME9338770.900.811.29
ethylene thioureaME9340520.960.831.21
Ethyl levulinateME9339870.950.831.23
Triisobutyl phosphateME9339271.000.821.18
(2S,8R)-2-Amino-8-hydroxydecanoic acid_1ME9339800.980.831.19
DL-Arginine_2ME9338690.980.831.20
Damascenone_4ME9340180.760.811.43
Ethyl cinnamate_1ME9338530.750.851.40
L-Glutamic acidME9337430.720.861.42
Cyclopentadecanolide_2ME9340190.830.781.39
meglumine_1ME9339690.850.801.35
tridec-2-enal_2ME9339730.860.791.35
3-Hydroxyoctanoic acid_2ME9339680.950.721.34
Phenethyl isothiocyanateME9339430.900.761.34
D-(-)-Aspartic acidME9338000.900.681.42
ionene_1ME9340050.890.701.41
(2S,8R)-2-Amino-8-hydroxydecanoic acid_5ME9340410.810.731.46
acetic acid geranyl esterME9337820.820.691.49
ParacetamolME9339170.571.191.24
(2S,8R)-2-Amino-8-hydroxydecanoic acid_2ME9339810.650.981.37
Pivagabine_3ME9340320.660.991.35
Methyl caffeateME9337790.631.031.33
2,6-di-tert-butylhydroquinone_3ME9339970.690.991.32
N-methylethanolamine phosphate_4ME9339890.681.001.32
2,6-di-tert-butylhydroquinone_1ME9338670.671.041.29
(6Z)-9-Hydroxy-3,6,10-trimethyl-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-oneME9338710.671.021.31
1-Deoxy-L-mannitolME9339310.830.901.27
Pivagabine_1ME9340030.850.931.22
Tetraethylene glycolME9337830.820.941.24
4-{(Z)-[(4E,7Z,16Z,19Z)-1-Hydroxy-4,7,10,13,16,19-docosahexaen-1-ylidene]amino}butanoic acidME9338480.800.881.32
Acetic acidME9339090.770.941.29
Myristoleic acidME9339060.741.071.19
1-(1-Ethyl-1H-pyrrol-2-yl)ethanone_1ME9339790.761.011.23
Butyl acetateME9337970.811.001.20
trans-2-HepteneME9340270.800.991.21
Triethyl citrateME9338220.791.001.21
2,3,5,6-Tetrahydro-1H-indole-5,6-diolME9338311.391.230.37
2,3-Octadiene-5,7-diyn-1-olME9338201.411.250.34
L-decylineME9339121.561.220.22
(4S)-4-Hydroxy-3-methylenedihydro-2(3H)-furanoneME9339011.531.120.35
Diethyl malonate_1ME9338731.631.090.28
1-(3-Heptyl-2-oxiranyl)-7-octene-2,4-diyne-1,6-diol_1ME9338611.301.010.68
DL-CitrullineME9338241.251.050.70
9,10-EPOXYSTEARIC ACID_2ME9339961.340.860.80
DL-Arginine_1ME9337551.300.860.84
2-Oxovaleric AcidME9339831.290.930.78
LINALYL BUTYRATEME9339631.290.910.80
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol_3ME9340511.330.950.72
Ethyl undecylenateME9339181.330.930.75
L-TyrosineME9337491.191.390.41
butanethiolME9339881.111.410.48
Ethyl cinnamate_2ME9338541.091.430.48
D-(+)-ProlineME9337391.151.250.61
Propionic acidME9337381.141.250.60
L-(-)-MethionineME9337681.261.220.52
IsoleucineME9337451.311.180.51
Tetrahydrothiophene-2-carboxylic acidME9337731.291.190.52
Allopurinol_1ME9337421.281.150.57
L-IsoleucineME9337611.271.120.61
1-(4-Methoxyphenyl)-3-pentanoneME9339341.251.150.60
p-ToluquinoneME9338491.231.150.63
propionylcarnitineME9338591.680.231.09
delta-guanidinovaleric acidME9338961.890.230.89
2-Amino-1,3,4-octadecanetriol_2ME9338651.900.400.71
NicotinamideME9337441.930.320.75
Bis(4-ethylbenzylidene)sorbitolME9338181.470.950.58
Maleamic acidME9338811.460.870.67
Leaf salicylateME9338921.670.820.51
N,N-Dimethyldecylamine N-oxideME9338951.580.800.62
Diethanolamine_2ME9338891.600.820.58
N-UndecanoylglycineME9338101.600.810.59
Cyclopentadecanolide_1ME9339331.620.690.69
DL-CycloserineME9338851.500.780.72
Linalyl isovalerateME9339001.530.750.72
DL-Arginine_3ME9339231.390.800.80
Elaeokanine C_1ME9339381.430.770.80
D-(-)-serineME9337601.490.680.83
L-alpha-PALMITINME9339491.430.680.89
L-Pyroglutamic acidME9337571.480.630.89
BetaineME9337361.770.430.80
StachydrineME9338141.670.420.91
Hydrolyzed fumonisin B1ME9338071.550.510.94
AllopurinolME9337461.660.570.76
3-Hydroxyoctanoic acid_1ME9339401.680.570.75
SuccinimideME9338981.690.570.75
4-Guanidinobutyric acidME9338041.560.630.80
DL-GlutamineME9337521.590.590.82
InosineME9337541.610.580.80
L-LysineME9337651.610.600.79
Diethyl malonate_2ME9338781.910.820.27
Diethanolamine_1ME9337711.830.660.51
D-(+)-TryptophanME9337771.840.690.48
(S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acidME9339541.840.710.45
Hexadecasphinganine_2ME9340001.750.670.58
N-Acetyl-L-cysteineME9339501.760.710.52
N-(3-(S)-Hydroxybutyryl)homoserine lactoneME9339291.950.480.56
2-Amino-1,3,4-octadecanetriol_1ME9337371.820.510.68
Acetyl-beta-methylcholineME9338161.810.580.61

Factors:

F1Sample source:chicken meat | Type:traditional meat
F2Sample source:muscle cell | Type:cultured meat
F3Sample source:muscle satellite cell | Type:cultured meat
Data matrix
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