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)C(=O)C2=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1CC2=C(C(=O)O1)C1(O)OC1(C(=O)O)C(=O)C2=O UGT Conjugation prediction

Generation 3

glucuronidation · 0.60

*OC(=O)C12OC1(O)C1=C(CC(C)OC1=O)C(=O)C2=O |$GlcA;;;;;;;;;;;;;;;;;;;$|