Clustering data with hclust algorithm for (Study ST003309)

(Analysis AN005421)
MetaboliteStructureF1F2F3F4F5
n-Propyl acetateME8669530.400.23NA7.430.83
o-XyleneME8669740.150.090.045.560.34
PentacosaneME8671352.780.150.110.264.24
1-Naphthalenemethanol, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, [1S-[1.alpha.,4a.alpha.,5.alpha.ME8671980.06NA2.371.51NA
HeptadecaneME8671720.280.112.521.64NA
Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-ME8670300.480.541.882.100.48
Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-ME8670810.420.402.202.400.44
TetradecanamideME8673200.280.442.142.160.70
Propanoic acid, ethyl esterME8669520.210.171.852.400.38
TolueneME8669590.030.031.802.360.10
4-t-PentylcyclohexeneME8670800.230.252.002.890.20
EthylbenzeneME8669730.080.071.722.970.17
OctadecanamideME867366NA0.223.19NA0.30
1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]-ME8672070.720.762.681.360.72
1-Decanol, 2-hexyl-ME8671790.900.722.860.660.76
Dibutyl phthalateME8671533.200.051.081.240.05
Tetradecane, 1-chloro-ME8673060.82NA1.860.32NA
17-PentatriaconteneME8672012.05NA0.760.19NA
Hydroperoxide, 1-methylhexylME8672631.45NA1.090.88NA
1-HeptatriacotanolME867173NA0.49NA1.600.91
Cyclohexane, undecyl-ME867092NA0.61NA1.980.77
2-Ethylhexyl acrylateME8671270.11NANA2.630.63
Sulfurous acid, hexyl octyl esterME8672130.51NA0.252.840.39
Tetracosane, 1-iodo-ME8673150.60NANA2.530.35
n-Nonadecanol-1ME8671660.920.82NA2.880.91
E,E,Z-1,3,12-Nonadecatriene-5,14-diolME8671310.790.40NA2.640.70
TridecaneME8670520.610.61NA2.910.76
Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1.alpha.,2.beta.,5.alpha.)-ME8670220.670.48NA2.210.64
Hexadecanoic acid, methyl esterME8671490.840.94NA2.490.81
IsoneralME8670150.840.70NA2.190.96
Methyl stearateME8671700.880.93NA2.190.81
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)-ME8670230.950.83NA1.780.96
n-HeptadecylcyclohexaneME8671230.780.840.311.980.83
1-DecanolME867342NA0.711.24NA0.82
7-Hexadecenal, (Z)-ME867348NA1.480.68NA0.85
Carbonic acid, decyl tetradecyl esterME867429NA1.000.73NA1.27
Sulfurous acid, hexyl pentadecyl esterME8673651.031.061.14NANA
Carbonic acid, octadecyl prop-1-en-2-yl esterME8672580.590.891.460.431.15
Decane, 1-iodo-ME8674230.840.831.56NA0.88
Nonane, 5-methyl-5-propyl-ME8673820.760.992.03NA0.85
Cyclohexane, nonadecyl-ME8672100.141.49NA1.170.83
15-Isobutyl-(13.alpha.H)-isocopalaneME8671910.731.68NA0.84NA
5-Butyl-5-ethylheptadecaneME8673140.941.73NA0.33NA
7,7-DiethylheptadecaneME8671601.55NANA0.920.83
Benzoic Acid, TMS derivativeME8670401.350.18NA1.141.11
HentriacontaneME8674151.680.430.92NA0.99
Trichloroacetic acid, hexadecyl esterME8673691.10NA0.62NA1.27
DodecylcyclohexaneME8671770.911.04NA1.370.83
Triacontyl acetateME8672020.961.08NA1.010.88
Undecane, 5-methyl-ME8672860.930.82NA1.011.24
2-Furanmethanol, tetrahydro-ME8669601.090.80NA0.801.20
Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, [1S-(1.alpha.,3.alpha.,5.alpha.)]-ME8672901.080.91NA0.791.08
Dodecane, 4,6-dimethyl-ME8670581.211.170.300.571.16
(1S,2E,6E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-dieneME8672230.991.13NA0.671.11
Dodecane, 2,6,11-trimethyl-ME8670120.991.12NA0.471.10
1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) esterME8671411.071.620.060.071.67
Bicyclo[2.2.1]heptan-2-ol, 2,3,3-trimethyl-ME8670171.321.140.210.211.33
9-Octadecenamide, (Z)-ME8671971.211.450.420.251.18
TetradecaneME8670841.321.360.270.451.40
.alpha.-CadinolME8671061.401.290.450.481.38
Cyclononasiloxane, octadecamethyl-ME8672181.331.380.460.311.35
IsospathulenolME8675331.221.08NANA0.20
1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-ME8674511.101.18NANA0.64
.gamma.-SitosterolME8675010.811.45NANA0.57
Dodecane, 2-cyclohexyl-ME8672501.030.980.540.511.13
OleanitrileME8672110.970.870.420.311.06
3-HexanoneME8674101.200.880.51NA1.24
Octasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadecamethyl-ME8673601.110.630.74NA1.24
1,6,10,14,18,22-Tetracosahexaen-3-ol, 2,6,10,15,19,23-hexamethyl-, (all-E)-ME8675000.740.85NANA1.01
1-Heptanol, 2,4-diethyl-ME8675180.810.77NANA1.12
Silane, trichlorooctadecyl-ME8675540.870.82NANA1.15
1-UndecanolME8674430.910.71NANA1.28
Cyclohexane, methyl-ME8674310.810.85NANA1.34
Tridecane, 4-cyclohexyl-ME8675190.720.75NANA1.26
11-MethyldodecanolME8674450.970.88NANA1.00
(3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-olME8675261.020.89NANA1.02
Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl esterME8675141.040.86NANA1.00
2,6-Dimethoxyphenyl-.beta.-phenylpropionateME8674571.060.96NANA0.98
Caryophyllene oxideME8674551.070.97NANA0.97
.alpha.-Santoline alcoholME8675231.001.00NANA1.00
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1a.alpha.,4a.alpha.,7.beta.,7a.beta.,7b.alpha.)]-ME8674661.010.94NANA1.05
p-Menth-8-en-1-ol, stereoisomerME8675101.000.93NANA1.03
Borneol, trifluoroacetate (ester)ME8674421.010.97NANA1.03
.tau.-MuurololME8674671.030.96NANA1.01
Benzene, [3-(2-cyclohexylethyl)-6-cyclopentylhexyl]-ME8675370.980.88NANA1.13
Pentadecafluorooctanoic acid, tetradecyl esterME8675530.940.92NANA1.11
1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1.alpha.,4.beta.,4a.beta.,8a.beta.)]-ME8674680.970.94NANA1.09
Carbonic acid, nonyl vinyl esterME8675080.990.92NANA1.09
Ethyl (trimethylsilyl)acetateME8674411.000.90NANA1.10
3-(Prop-2-en-1-onyl)-2,4,4-trimethylcyclohex-2-en-1-oneME8674541.090.87NANA1.06
Carbonic acid, bis(2-ethylhexyl) esterME8675291.050.85NANA1.10
Formamide, N,N-diethyl-ME8674370.980.82NANA1.34
Octane, 6-ethyl-2-methyl-ME8674390.970.88NANA1.37
2-Pentanone, 4-hydroxy-4-methyl-ME8675050.980.81NANA1.21
Acetic acid, 3-methoxy-2-butyl esterME8675070.990.87NANA1.22
1-Methoxy-2-propyl acetateME8674361.080.93NANA1.17
(Methoxymethyl)trimethylsilaneME8674401.040.94NANA1.27
Hexacosyl acetateME8674730.971.21NANA0.86
Hexadecanoic acid, 2-hydroxyethyl esterME8674741.031.23NANA1.01
TriacontaneME8671610.931.21NA0.081.21
Fumaric acid, 3,5-difluorophenyl heptadecyl esterME8675710.811.01NANA1.03
Nonacos-1-eneME8675350.910.99NANA1.10
Tetradecane, 4-methyl-ME8674460.850.94NANA1.07
1,2-BenzenedimethanolME8675110.781.20NANA1.02
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl esterME8675820.861.16NANA1.08
Eicosanoic acid, 2-hydroxyethyl esterME8675690.851.24NANA1.06
.alpha.-Terpinyl acetateME8675200.931.07NANA1.01
2,6,8-Trimethylbicyclo[4.2.0]oct-2-ene-1,8-diolME8675320.881.07NANA1.05
3,7-Dihydroxy-3-phenyl-4-chromanoneME8675360.881.09NANA1.02
Bis(dodecanamido)methaneME8674810.941.13NANA1.10
Dodecane, 4-methyl-ME8674480.951.16NANA1.04
Furan, tetrahydro-2,5-dimethyl-ME8674071.210.990.29NA0.91
HexatriacontaneME8673741.111.040.22NA1.12
Triacontane, 1-iodo-ME8675431.241.16NANA1.04
2-Ethyl-1-hexanolME8674381.290.89NANA0.99
Carbonic acid, eicosyl prop-1-en-2-yl esterME8674721.390.94NANA0.90
2,6,10-TrimethyltridecaneME8674441.180.96NANA0.76
trans-Linalool oxide (furanoid)ME8675091.111.03NANA0.92
Triacontane, 1-bromo-ME8674990.550.54NANA0.86
Butane, 1-ethoxy-ME8675020.670.97NANA0.68
Dotriacontane, 1-iodo-ME8675750.790.84NANA0.81
Hexadecanoic acid, ethyl esterME8674611.050.42NANA1.30
2-Isopropyl-5-methyl-1-heptanolME8674471.210.65NANA0.81
Farnesol, TMS derivativeME8675401.210.55NANA1.02
5-Isopropenyl-2-methyl-7-oxabicyclo[4.1.0]heptan-2-olME8672381.220.81NA0.371.19
13-Docosenamide, (Z)-ME8674981.400.72NANA1.28
1-HeptadeceneME8675591.410.98NANA1.41
Carbonic acid, heptadecyl prop-1-en-2-yl esterME8674560.031.01NANA1.95
3-Ethyl-3-methylheptaneME8673350.940.770.40NA1.90
Propane, 1-(1-ethoxyethoxy)-ME8669691.010.590.450.342.04
Butane, 1-(1-ethoxyethoxy)-ME8675060.640.89NANA1.74
Propane, 1,1^-[ethylidenebis(oxy)]bis-ME8674350.930.41NANA1.91
Stearic acid, TMS derivativeME8674750.810.49NANA1.96
StyreneME8674340.600.57NANA1.75
Propane, 1,1-diethoxy-ME8674330.690.48NANA1.65
sec-Butyl acetateME8674320.800.58NANA1.66
Palmitic Acid, TMS derivativeME8671620.550.40NA0.402.55
TetracontaneME8672610.600.84NA0.741.96
Benzene, (2,3-dimethyldecyl)-ME867039NANA0.620.652.47
p-Menthane-3,8-diol, cis-1,3,trans-1,4-ME867064NANA0.810.831.71
1-HeptacosanolME867328NANA0.970.421.66
1-Hydroxy-6-(3-isopropenyl-cycloprop-1-enyl)-6-methyl-heptan-2-oneME867329NANA0.770.521.94
Eicosane, 2,4-dimethyl-ME867121NA0.920.811.061.47
Heptasiloxane, hexadecamethyl-ME8671960.300.290.551.411.54
SqualeneME8672260.77NA0.631.061.54
Ethane, 1,1-diethoxy-ME8669540.570.381.201.841.14
(+)-2-BornanoneME8670160.640.521.351.840.65
Benzenemethanol, .alpha.,.alpha.,4-trimethyl-ME8670240.520.451.581.920.53
3-Ethyl-3-methylheptadecaneME8672170.651.080.991.720.92
3,3-DiethylpentadecaneME8671380.860.661.071.671.13
2-MethyltetracosaneME8671550.710.771.021.850.95
DodecaneME8670270.850.920.931.720.96
NonanalME8670110.800.811.031.610.96
Hexadecane, 1-iodo-ME8671140.811.040.721.411.04
2-HexanoneME8672280.930.861.061.261.09
Bornyl acetateME8670480.940.840.891.281.02
LinaloolME8670090.940.810.961.391.02
5,5-DiethyltridecaneME8670990.640.631.801.210.75
2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, cis-ME8670040.850.641.651.061.01
3,3-DiethylheptadecaneME8672080.790.781.721.000.92
3-Eicosene, (E)-ME8672540.780.751.411.040.83
CitronellolME8670360.870.911.511.150.71
5,5-DiethylpentadecaneME8671290.580.581.611.461.00
PrenolME8669610.510.381.601.660.85
2-Dodecen-1-yl(-)succinic anhydrideME8672950.840.801.701.570.82
Cycloheptasiloxane, tetradecamethyl-ME8672390.830.731.811.640.84
2-Pentanol, 4-methyl-ME8669660.770.651.281.461.03
3-HexanolME8669650.800.711.301.370.89
5,5-DiethylheptadecaneME8671570.770.691.321.400.87
Octadecane, 1-chloro-ME8672430.810.841.321.380.91
ThunbergolME8671070.780.801.321.400.81
1-CyclopentyleicosaneME8671880.760.861.381.260.92
Cyclopentane, decyl-ME8671050.810.781.331.281.02
1-((1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl)ethanoneME8671200.760.751.411.690.75
3-Cyclohexene-1-methanol, 5-hydroxy-.alpha.,.alpha.,4-trimethyl-ME8670700.650.711.291.580.84
p-Mentha-1,5-dien-8-olME8670190.690.591.591.560.77
3,3,13,13-TetraethylpentadecaneME8671870.760.851.501.400.75
Cyclohexasiloxane, dodecamethyl-ME8670590.770.761.501.510.79
Bis(2-ethylhexyl) phthalateME8672160.920.630.941.002.08
HeneicosaneME8671461.051.030.790.841.67
TetratetracontaneME8672250.661.001.011.061.82
Octanamide, N,N-dimethyl-ME8672061.201.200.570.560.79
2-MethylhexacosaneME8671761.241.540.790.770.99
Phenol, 2,2^-methylenebis[6-(1,1-dimethylethyl)-4-methyl-ME8672041.121.410.600.800.83
3-Ethyl-3-methylnonadecaneME8671741.180.980.551.011.14
2-Hexadecene, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]-ME8671441.230.920.860.981.14
endo-BorneolME8670201.191.010.750.911.14
2,4-Di-tert-butylphenolME8670871.171.140.520.781.20
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-ME8672341.281.020.740.541.14
Decane, 3,8-dimethyl-ME8670671.270.980.660.721.26
HexadecaneME8672421.121.180.961.021.27
Oxalic acid, cyclohexylmethyl tridecyl esterME8671691.041.001.050.651.13
Butylated HydroxytolueneME8670881.031.130.810.930.99
EicosaneME8670980.971.010.931.090.94
1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-ME8670600.951.081.140.791.07
Cyclohexanemethanol, 4-hydroxy-.alpha.,.alpha.,4-trimethyl-ME8670540.911.111.080.930.97
.alpha.-TerpineolME8670061.030.921.060.971.03
Heptadecane, 3-methyl-ME8672471.131.101.050.931.08
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-ME8670321.010.751.210.940.99
Cyclooctasiloxane, hexadecamethyl-ME8672440.930.941.370.640.89
1,13-Tetradecadien-3-oneME8671800.27NA0.591.38NA
Furan, 2-butyltetrahydro-ME867264NANA1.291.020.40
Triisobutyl(3-phenylpropoxy)silaneME867102NANA1.061.130.64
3-Hexen-1-ol, (Z)-ME866972NANA1.081.580.02
PentadecaneME867072NA0.141.361.56NA
2,4-Dihydroxyphenylbenzyl ketoneME8671650.22NA1.071.32NA
Hexadecane, 2,6,10,14-tetramethyl-ME8671300.13NA1.001.29NA
Cyclohexane, 1,1^-(1,3-propanediyl)bis-ME867164NANA1.041.410.33
Octadecane, 1-iodo-ME867163NANA1.231.230.19
1-HexadecanolME8673160.27NA1.461.27NA
Benzofuran, 2,3-dihydro-ME8670330.200.061.781.33NA
ButyrolactoneME8669800.450.601.331.28NA
2,4-Pentadien-1-ol, 3-pentyl-, (2Z)-ME867029NA0.351.261.19NA
6-epi-shyobunolME8671330.290.321.311.39NA
NonadecaneME8671110.200.241.381.440.26
7R,8R-8-Hydroxy-4-isopropylidene-7-methylbicyclo[5.3.1]undec-1-eneME867307NANA1.010.771.11
NonaneME866978NANA0.810.991.10
2-BromotetradecaneME867287NA0.391.241.480.88
Dotriacontyl isopropyl etherME867215NANA0.531.540.92
Eicosyl isopropyl etherME867171NANA0.791.500.60
Triacontanoic acid, methyl esterME867159NA1.660.950.72NA
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.beta.,5.alpha.)-ME867026NA0.990.251.38NA
Tridecane, 3-methylene-ME867167NA1.090.851.19NA
cis-(-)-1,2-Epoxy-p-menth-8-eneME867271NA0.781.111.01NA
Dodecane, 2,6,10-trimethyl-ME867031NA0.891.061.00NA
Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-ME8670410.940.511.451.34NA
Decane, 3,7-dimethyl-ME8670100.810.810.861.52NA
Pentadecane, 2,6,10,14-tetramethyl-ME8671120.780.480.731.50NA
NeodihydrocarveolME8672740.841.171.451.140.38
N,N-DimethyldodecanamideME8671860.931.480.740.96NA
Tetrapentacontane, 1,54-dibromo-ME8673210.971.071.010.730.31

Factors:

F1Month:August | Sample source:Pinus koraiensis leaf
F2Month:July | Sample source:Pinus koraiensis leaf
F3Month:June | Sample source:Pinus koraiensis leaf
F4Month:May | Sample source:Pinus koraiensis leaf
F5Month:September | Sample source:Pinus koraiensis leaf
Data matrix
  logo