Table 1.

Output of example pathway search from tyrosine (C00082) to caffeate (C01197)

Index	Pathway length	Intermediates	Reaction IDs	Pathway score	Average CAR
1	2	C00082->C00811->C01197	R00737->R07826	2.24	0.89
2	4	C00082->C00811->C00223->C00323->C01197	R00737->R01616->R07436->R01943	4.32	0.93
3	4	C00082->C01179->C03672->C00811->C01197	R00729->R03336->R08766->R07826	4.33	0.93
4	4	C00082->C00079->C00423->C00811->C01197	R07211->R00697->R02253->R07826	4.52	0.89
5	5	C00082->C00826->C00079->C00423->C00811->C01197	R00732->R00691->R00697->R02253->R07826	6.27	0.81
6	6	C00082->C01179->C03672->C00811->C00223->C00323->C01197	R00729->R03336->R08766->R01616->R07436->R01943	6.41	0.94
7	6	C00082->C00811->C00223->C00323->C00406->C01494->C01197	R00737->R01616->R07436->R01942->R02194->R03366	6.44	0.93
8	6	C00082->C00079->C00423->C00540->C00223->C00323->C01197	R07211->R00697->R02255->R08815->R07436->R01943	6.50	0.93
9	6	C00082->C00811->C00423->C00540->C00223->C00323->C01197	R00737->R02253->R02255->R08815->R07436->R01943	6.50	0.93
10	6	C00082->C00079->C00423->C00811->C00223->C00323->C01197	R07211->R00697->R02253->R01616->R07436->R01943	6.60	0.91

Note: KEGG identifiers are used to specify compounds and reactions. The maximum number of pathways (k) was set to 10, and only one reaction alternative was printed when several reactions could do the same biotransformation.