Alpha-ochratoxin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alpha-ochratoxin Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1CC2=C(C(=O)O1)C(O)=C(C(=O)O)C1OC21Cl stable oxygenation prediction

CC1CC2=C(C(=O)O1)C(O)=C(C(=O)O)C1OC21Cl unstable oxygenation prediction

CC1CC2=C(C(=O)O1)C(O)=C(C(=O)O)C1OC21Cl dehydrogenation prediction

CC1CC2=C(C(=O)O1)C(O)=C(C(=O)O)C1OC21Cl reduction prediction

CC1CC2=C(C(=O)O1)C(O)=C(C(=O)O)C1OC21Cl hydrolysis prediction

Generation 2

hydrogenation · 0.05

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1CC2C(C(=O)O1)C(O)=C(C(=O)O)C1OC12Cl