Aristolochic acid a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aristolochic acid a N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1cccc2c1cc(O)c1c(C(=O)O)cc3c(c12)OCO3 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC12OC1C=Cc1c2cc(O)c2c(C(=O)O)cc3c(c12)OCO3 gsh prediction

COC12OC1C=Cc1c2cc(O)c2c(C(=O)O)cc3c(c12)OCO3 protein prediction

COC12OC1C=Cc1c2cc(O)c2c(C(=O)O)cc3c(c12)OCO3 cyanide prediction

COC12OC1C=Cc1c2cc(O)c2c(C(=O)O)cc3c(c12)OCO3 dna prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 8 metabolites