Alpha-ochratoxin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alpha-ochratoxin stable oxygenation prediction

Alpha-ochratoxin unstable oxygenation prediction

Alpha-ochratoxin dehydrogenation prediction

Alpha-ochratoxin reduction prediction

Alpha-ochratoxin hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1OC(=O)c2c(O)c(C(=O)O)cc(Cl)c2C1O gsh prediction

CC1OC(=O)c2c(O)c(C(=O)O)cc(Cl)c2C1O protein prediction

CC1OC(=O)c2c(O)c(C(=O)O)cc(Cl)c2C1O cyanide prediction

CC1OC(=O)c2c(O)c(C(=O)O)cc(Cl)c2C1O dna prediction

Generation 2

dna · 0.05

*c1cc(C(=O)O)c(O)c2c1C(O)C(C)OC2=O |$DNA;;;;;;;;;;;;;;;;;$|