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

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 stable oxygenation prediction

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 unstable oxygenation prediction

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 dehydrogenation prediction

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 reduction prediction

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1C=C2C(=C(O)C(C(=O)O)=CC2O)C(=O)O1 UGT Conjugation prediction

Generation 3

Select a metabolite to form the next generation.