Substrate
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Generation 1
XenoSite
Aspergillusene b
Cc1c(CCC(C)C)oc2cc(C(=O)O)ccc12
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
Cc1c2c(oc1=CCC(C)C)=CC(C(=O)O)=CC2=O
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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 2
Select a metabolite to form the next generation.
hydrogenation
Probability 0.25
0.25
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