Substrate
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Generation 1
XenoSite
Alpha-naphthoic acid
O=C(O)c1cccc2ccccc12
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=CC2OC2c2ccccc21
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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.
hydrogenation
Probability 0.12
0.12
dehydration
Probability 0.10
0.10
15o
dehydration
Probability 0.10
0.10
hydrogenation
Probability 0.10
0.10
oxygen reduction
Probability 0.10
0.10
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