Substrate
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Generation 1
/
Generation 2
XenoSite
Anthracene
c1ccc2cc3ccccc3cc2c1
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(=O)c2cc3ccccc3cc21
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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
Show metabolites
O=C1C=CC(O)c2cc3ccccc3cc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.55
0.55
epoxidation
Probability 0.06
0.06
epoxidation
Probability 0.06
0.06
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.01
0.01
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