Substrate
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Generation 1
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Generation 2
XenoSite
Anthrachinon
O=C1c2ccccc2C(=O)c2ccccc21
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
O=C1C2=C(CCC=C2)C(=O)c2ccccc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
O=C1C2=C(CCC=C2)C(=O)C2=C1C=CC1OC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.41
0.41
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dna
Probability 0.37
0.37
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protein
Probability 0.17
0.17
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cyanide
Probability 0.00
0.00
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