Substrate
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Generation 1
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Generation 2
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=C1C=Cc2c(C(=O)O)cccc2C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C(O)C1=CC2OC2C2=C1C=CC(=O)C2=O
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.37
0.37
15o
dehydration
Probability 0.37
0.37
hydrogenation
Probability 0.37
0.37
oxygen reduction
Probability 0.37
0.37
dehydration
Probability 0.28
0.28
15o
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