Aspergillusene b

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aspergillusene b Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Cc1c(CCC(C)C)oc2c1C(=O)C(=O)C(C(=O)O)=C2 gsh prediction

Cc1c(CCC(C)C)oc2c1C(=O)C(=O)C(C(=O)O)=C2 protein prediction

Cc1c(CCC(C)C)oc2c1C(=O)C(=O)C(C(=O)O)=C2 cyanide prediction

Cc1c(CCC(C)C)oc2c1C(=O)C(=O)C(C(=O)O)=C2 dna prediction

Generation 2

Select a metabolite to form the next generation.