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

COC1=c2c(c([N+](=O)[O-])cc3c2=CC=CC3=O)C(C(=O)O)=CC1=O UGT Conjugation prediction

Generation 2

glucuronidation · 1.00

*OC(=O)C1=CC(=O)C(OC)=c2c1c([N+](=O)[O-])cc1c2=CC=CC1=O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;$|