Classification of metabolites into metabolic pathway based on cyclic structures

Abstract

We can recognize the diverged ring structures in secondary metabolites. In the present study, we used 48,681 metabolites accumulated in KNApSAcK DB to estimate variation of cyclic structures based on simple cyclic graph and obtained 5,905,755 types of ring systems. We carried out the significant ring systems associated with metabolic pathways derived from those diverged ring systems.