Trimellitic anhydride

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Trimellitic anhydride stable oxygenation prediction

Trimellitic anhydride unstable oxygenation prediction

Trimellitic anhydride dehydrogenation prediction

Trimellitic anhydride reduction prediction

Trimellitic anhydride hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=Cc1ccc(C(=O)O)cc1C(=O)O Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=CC1=C(C(=O)O)C=C(C(=O)O)C(=O)C1=O Epoxidation prediction

Generation 3

Select a metabolite to form the next generation.