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 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1OC(=O)C2=C(C1O)C1(Cl)OC1C(C(=O)O)=C2O UGT Conjugation prediction

Generation 3

glucuronidation · 0.27

*OC1C2=C(C(=O)OC1C)C(O)=C(C(=O)O)C1OC21Cl |$GlcA;;;;;;;;;;;;;;;;;;;$|