Table 1.
Condensed List of Metabolites within Each Cluster
| Cluster 1 | Cluster 2 | Cluster 3 | Cluster 4 | Cluster 5 |
| Pyruvate | Man | Raffinose | Coumaric acid | Asp |
| Ala | Galactitol | Galactinol | Ferulic acid | Malate |
| Glycerate | Diethylene glycol | Stachyose | Phosphate | Fumarate |
| Glu | Salicylic acid | Tryptamine | Glucosephosphates | Citrate (additional: isocitrate) |
| Citrulline | Ribonic acid | Trp | Four sugars | Glyoxylate |
| Galactose, lipid fraction | Cys | α-Ketoglutarate | 15 proteinogenic amino acids | γ-Tocopherol |
| Glycerol, lipid fraction | NAD | Nicotinamide | 10 sphingolipids | Threonic acid |
| Digalactosylglycerol | Five fatty acids | Gluconic acid | Four sterols | 3-O-galactosylglycerol |
| 3-O-galactoglycerolipids | Three other metabolites | Myristic acid | Six fatty acids | Two other metabolites |
| Five carotenoids | UDP-glucose | Four precursors | ||
| Four fatty acids | 12 other metabolites | |||
| Five other metabolites |
Metabolites were K-means clustered. A figure of merit analysis determined five clusters as the best compromise between cluster formation with limited information loss (Friedman and Stuetzle, 1981).