Clustering data with hclust algorithm for (Study ST000896)

(Analysis AN001458)
MetaboliteStructureF1F2F3
Gly-ProME2291910.97NA1.02
Lauric acidME2292070.981.01NA
AldopentosesME2291331.001.00NA
C18 HydrocarbonME2291571.010.99NA
StearamideME229253NA1.130.96
alpha Ketoglutaric acidME2291340.860.931.10
Siloxanes_R8ME2292471.021.050.89
Glyoxylic acidME2291950.931.101.02
Docosanoic acidME2291780.990.961.09
HypoxanthineME2292020.991.060.99
CarnosineME2291671.011.040.95
Siloxanes_R11ME2292501.011.060.96
Siloxanes_R10ME2292490.931.001.04
Sucrose and similar disaccharidesME2292560.951.011.04
5^-Deoxy-5^-(methylthio) adenosineME2291260.951.011.02
6-Hydroxynicotinic acidME2291270.951.011.03
Siloxanes_R5ME2292440.940.981.07
Ascorbic acid/Isoascorbic acidME2291410.960.981.06
ProlineME2292330.970.981.05
EthanolamineME2291800.971.001.05
PhenolME2292290.961.011.05
Siloxanes_R2ME2292410.980.981.03
alpha-TocopherolME2291371.010.971.03
TaurineME2292571.010.981.02
PseudouridineME2292351.000.971.02
Dehydroalanine (possibly from cysteine)ME2291721.000.981.02
Malonic acidME2292111.000.981.03
Tiglic acidME2292611.010.991.01
Uric acidME2292681.010.991.00
HexitolsME2291981.010.991.00
Threonic acid/erythronic acidME2292591.010.991.00
UracilME2292661.010.990.99
Hexanoic acid (and/or Glycolic acid)ME2291971.021.000.99
C20 HydrocarbonME2291591.011.001.00
Oleic acidME2292231.011.000.99
C15 hydrocarbonME2291541.011.000.99
C22 hydrocarbonME2291611.011.000.99
Stearic acidME2292541.001.001.00
Phosphoric acidME2292321.001.001.00
Phosphoenolpyruvic acidME2292311.001.001.00
Palmitic acidME2292241.001.001.00
N-Methylalanine/2-Aminobutanoic acid/N-EthylglycineME2292181.001.001.00
Malic acidME2292101.001.001.00
HomoserineME2291991.001.001.00
Heptadecanoic acid/OctadecanolME2291961.001.001.00
Glutathione (reduced)ME2291901.001.001.00
Glutamic acidME2291881.001.001.00
deuterated Myristic Acid (RTL std)ME2291741.001.001.00
CholesterolME2291681.001.001.00
C25 hydrocarbonME2291641.001.001.00
C24 HydrocarbonME2291631.001.001.00
C21 HydrocarbonME2291601.001.001.00
C19 hydrocarbonME2291581.001.001.00
C17 hydrocarbonME2291561.001.001.00
C13 hydrocarbonME2291521.001.001.00
beta-SitosterolME2291481.001.001.00
beta-MonostearinME2291471.001.001.00
Benzoic acidME2291441.001.001.00
Arachidic acid/ 1-HeneicosanolME2291391.001.001.00
alpha-MonostearinME2291361.001.001.00
3-Phosphoglyceric acidME2291251.001.001.00
alpha-MonopalmitinME2291351.001.001.00
GlycineME2291941.001.001.01
AlanineME2291321.001.001.01
C23 HydrocarbonME2291621.001.001.01
Pantothenic acidME2292261.001.011.00
Pentadecanoic acid/HexadecanolME2292271.001.011.00
GlutamineME2291890.991.011.01
TyrosineME2292640.991.011.00
ThreonineME2292600.991.011.00
SqualeneME2292520.991.011.00
SerineME2292390.991.011.00
Prunetin or similar isoflavoneME2292340.991.011.00
MyoinositolME2292150.991.011.00
Methionine sulfoxideME2292130.991.011.00
Linoleic acidME2292080.991.011.00
Lactic acidME2292060.991.011.00
Isoleucine/LeucineME2292050.991.011.00
Glycerol 1-phosphateME2291930.991.011.00
Glucose-6-phosphate or similarME2291870.991.011.00
Fructose-6-phosphateME2291820.991.011.00
Fructose or similar ketohexoseME2291810.991.011.00
Myristic acid or PentadecanolME2292171.001.000.99
UreaME2292671.001.010.99
Unknown-possibly propylene glycolME2292651.001.010.99
PhenylalanineME2292301.001.010.99
O-MethylphosphateME2292211.001.010.99
Myoinositol-2-phosphateME2292161.001.010.99
HydroxyprolinesME2292001.001.010.99
CreatinineME2291701.001.010.99
Citric acid/isocitric acidME2291691.001.010.99
C14 HydrocarbonME2291531.001.010.99
2-Aminoadipic acidME2291221.001.010.99
AdenineME2291291.001.010.99
Dehydroascorbic acid (possibly alpha-ketoglutarate)ME2291730.991.010.99
LysineME2292090.991.010.99
Nonadecanoic acidME2292190.991.001.02
Pyrrole -2-carboxylic acidME2292370.981.001.02
Siloxanes_R9ME2292480.990.991.01
UridineME2292690.991.001.01
Succinic acidME2292550.991.001.01
Siloxanes_R6ME2292450.991.001.01
Siloxanes_R4ME2292430.991.001.01
Siloxanes_R3ME2292420.991.001.01
MSTFA artifactME2292140.991.001.01
Glucose and other aldohexosesME2291860.991.001.01
Fumaric acidME2291830.991.001.01
C16 HydrocarbonME2291550.991.001.01
beta-MonopalmitinME2291460.991.001.01
beta-Hydroxybutyric acidME2291450.991.001.01
1,5-AnhydroglucitolME2291210.991.001.01
3-Aminoisobutyric acid/beta-AlanineME2291240.991.001.01
2-HydroxypyridineME2291230.991.001.00
CampesterolME2291650.991.001.00
Acetoacetate/2-Aminoisobutanoic acidME2291280.990.981.02
HypotaurineME2292010.990.991.02
Aminomalonic acidME2291380.990.991.02
Erythritol/TheitolME2291790.990.991.02
GlycerolME2291921.000.991.02
Siloxanes_R7ME2292461.000.991.01
Siloxanes_R1ME2292401.000.991.01
Nonanoic acidME2292201.000.991.01
Aspartic acidME2291431.000.991.01
C12 hydrocarbonME2291511.000.991.01
gamma-TocopherolME2291850.981.011.01
O-PhosphocolamineME2292220.981.011.01
Adenosine/InosineME2291310.971.011.02
Arachidonic acid (also Eicosapentaenoic acid)ME2291400.981.011.02
Docosahexaenoic acidME2291770.981.011.02
Dihydroxyacetone phosphateME2291750.971.021.01
MethionineME2292120.971.021.01
Adenosine-5-monophosphateME2291300.961.021.02
Tetradecanedioic acidME2292580.971.021.02
Inosine/AdenosineME2292040.971.031.00
Palmitoleic acidME2292250.971.041.00
TrisaccharideME2292620.971.020.99
DisaccharideME2291760.991.020.99
PentitolsME2292280.981.020.99
Pyruvic acidME2292380.981.021.00
Decanoic acidME2291710.981.021.00
PyrophosphateME2292360.981.021.00
Tryptamine/NorepinephrineME2292631.030.981.00
AsparagineME2291421.030.990.96
SpermidineME2292511.031.000.96
C11 hydrocarbonME2291501.021.020.96
Inosine 5^-monophosphateME2292031.031.010.98
gamma-Hydroxybutyric acidME2291841.021.010.97
C10 hydrocarbonME2291491.011.010.98
ValineME2292701.011.010.98

Factors:

F1Treatment:40mg/kg Sun
F2Treatment:50mg/kg Erl
F3Treatment:PBS Ctl
Data matrix
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