Aristolochic acid a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aristolochic acid a Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1cccc2c3c(c([N+](=O)[O-])cc12)C(C(=O)O)=CC(=O)C3=O gsh prediction

COc1cccc2c3c(c([N+](=O)[O-])cc12)C(C(=O)O)=CC(=O)C3=O protein prediction

COc1cccc2c3c(c([N+](=O)[O-])cc12)C(C(=O)O)=CC(=O)C3=O cyanide prediction

COc1cccc2c3c(c([N+](=O)[O-])cc12)C(C(=O)O)=CC(=O)C3=O dna prediction

Generation 2

Select a metabolite to form the next generation.