Alpha-ochratoxin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alpha-ochratoxin Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1CC2=C(C(=O)O1)C(=O)C(C(=O)O)=CC2=O stable oxygenation prediction

CC1CC2=C(C(=O)O1)C(=O)C(C(=O)O)=CC2=O unstable oxygenation prediction

CC1CC2=C(C(=O)O1)C(=O)C(C(=O)O)=CC2=O dehydrogenation prediction

CC1CC2=C(C(=O)O1)C(=O)C(C(=O)O)=CC2=O reduction prediction

CC1CC2=C(C(=O)O1)C(=O)C(C(=O)O)=CC2=O hydrolysis prediction

Generation 2

hydrogenation · 0.24

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1CC2=C(C(=O)O1)C(O)C(C(=O)O)=CC2=O