Substrate
/
Generation 1
XenoSite
Trimellitic anhydride
O=C(O)c1ccc2c(c1)C(=O)OC2=O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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O=C(O)C1=CC2OC23C(=O)OC(=O)C3=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.45
0.45
hydrolysis
Probability 0.45
0.45
hydrogenation
Probability 0.13
0.13
dehydration
Probability 0.08
0.08
15o
dehydration
Probability 0.08
0.08
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