Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Anthranil
c1ccc2nocc2c1
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
Show metabolites
O=C1C=CC=C2C(=O)ON=C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1ON=C2C(=O)C3OC3C=C12
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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
Show metabolites
O=C1ON=C2C1=CC1OC1C2O
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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 4
Select a metabolite to form the next generation.
hydrolysis
Probability 0.27
0.27
hydrolysis
Probability 0.27
0.27
dehydration
Probability 0.26
0.26
15o
dehydration
Probability 0.26
0.26
hydrogenation
Probability 0.26
0.26
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