Aconitine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aconitine Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)C5=CC=CC6OC56)C(C(OC)C23)C14 UGT Conjugation prediction

Generation 2

glucuronidation · 0.07

*OC12CC3C(C1OC(=O)C1=CC=CC4OC14)C(OC(C)=O)(C(O)C2OC)C1C(OC)C2C4(COC)CN(CC)C1C32C(OC)CC4O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|