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 gsh prediction

CC1CC2=C(C(=O)O1)C1(O)OC1(C(=O)O)C(=O)C2=O protein prediction

CC1CC2=C(C(=O)O1)C1(O)OC1(C(=O)O)C(=O)C2=O cyanide prediction

CC1CC2=C(C(=O)O1)C1(O)OC1(C(=O)O)C(=O)C2=O dna prediction

Generation 3

glutathionation · 0.01

*C1(C(=O)O)C(=O)C(=O)C2=C(C(=O)OC(C)C2)C1(O)O |$GSH;;;;;;;;;;;;;;;;;;;$|