Aristolochic acid a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aristolochic acid a Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC2OC2c2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c21)OCO3 UGT Conjugation prediction

Generation 2

glucuronidation · 1.00

*OC(=O)c1cc2c(c3c4c(cc([N+](=O)[O-])c13)C(OC)=CC1OC41)OCO2 |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;$|