Aristoloterpenate i

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aristoloterpenate i Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC12OC1C=Cc1c2cc([N+](=O)[O-])c2c(C(=O)OC3C=C(C=O)CCC=C(C)CCC=C(C)C3)cc3c(c12)OCO3 gsh prediction

COC12OC1C=Cc1c2cc([N+](=O)[O-])c2c(C(=O)OC3C=C(C=O)CCC=C(C)CCC=C(C)C3)cc3c(c12)OCO3 protein prediction

COC12OC1C=Cc1c2cc([N+](=O)[O-])c2c(C(=O)OC3C=C(C=O)CCC=C(C)CCC=C(C)C3)cc3c(c12)OCO3 cyanide prediction

COC12OC1C=Cc1c2cc([N+](=O)[O-])c2c(C(=O)OC3C=C(C=O)CCC=C(C)CCC=C(C)C3)cc3c(c12)OCO3 dna prediction

Generation 2

dna · 0.06

*C1C=Cc2c(cc([N+](=O)[O-])c3c(C(=O)OC4C=C(C=O)CCC=C(C)CCC=C(C)C4)cc4c(c23)OCO4)C1(O)OC |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|