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

COc1cccc2c3c(c([N+](=O)[O-])cc12)=C(C(=O)O)C1OC12OCOC=32 gsh prediction

COc1cccc2c3c(c([N+](=O)[O-])cc12)=C(C(=O)O)C1OC12OCOC=32 protein prediction

COc1cccc2c3c(c([N+](=O)[O-])cc12)=C(C(=O)O)C1OC12OCOC=32 cyanide prediction

COc1cccc2c3c(c([N+](=O)[O-])cc12)=C(C(=O)O)C1OC12OCOC=32 dna prediction

Generation 2

dna · 0.03

*C1C(C(=O)O)=c2c([N+](=O)[O-])cc3c(OC)cccc3c2=C2OCOC21O |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;$|