Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Anthracene
c1ccc2cc3ccccc3cc2c1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
Show metabolites
O=C1C=c2cc3ccccc3cc2=CC1=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 2
Show metabolites
O=C1C=c2cc3ccccc3cc2=CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C=c2cc3c(cc2=CC1)C=CC1OC31
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.56
0.56
dna
Probability 0.43
0.43
glutathionation
Probability 0.42
0.42
dna
Probability 0.39
0.39
protein
Probability 0.19
0.19
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