Blood metabolite actual sample fPC1 (mM) fPC2 (mM)
1,3-Dihydroxyacetone X 0.4195 0.1324
1,3-Dimethylurate X 1.3649 1.1966
1,6-Anhydro-b -D-glucose X    
1,7-Dimethylxanthine X 0.1613 0.117
1-Methylnicotinamide X    
2-Hydroxyisobutyrate X 0.0761 0.038
2-Oxobutyrate X 0.0716 0
2-Oxoglutarate X 0.0631 0
3-Aminoisobutyrate X    
3-Hydroxyisovalerate X 0.0221 0
3-Hydroxymandelate X    
3-Indoxylsulfate X    
4-Hydroxyphenylacetate X    
4-Pyridoxate X 0.2208 0
5,6-Dihydrouracil X 0.6077 0
Acetate X 0.0601 0.0072
Acetoin X 0.0215 0
Acetone X 0.0518 0
Alanine X    
Adenine X 0.1256 0
Arabinitol X 3.6563 0.1111
Asparagine X    
Benzoate X    
Betaine X 10.4309 9.8544
Butanone X 0.0261 0
Caffeine X 0.1369 0.0722
Carnitine X    
Choline X    
Citrate X    
Creatine X 1.0648 0
Creatine phosphate X 1.3224 0
Creatinine X 0.633 0
Cytosine X 0.0336 0
Dimethylamine X 0.2206 0.4833
Dimethyl sulfone X 0.2033 0.1388
Ethanol X    
Ethanolamine X    
Ethylene glycol X   2.2361
Formate X    
Fumarate X   0.1383
Galactose X    
Glucose X 156.7578 146.6056
Glucuronate X 6.3225 0
Glycine X 15.3768 15.733
Glycolate X 58.6403 52.3104
π -Methylhistidine X 0.1438 0
Table 5: Compounds detected in actual samples and loadings of fPC1 and fPC2.