Substrate
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Generation 1
XenoSite
Aculene d
CCC1=CC(=O)C2(C)C(O)CC(C)=CCC12
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
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CCC12OC1C(=O)C1(C)C(O)CC(C)=CCC21
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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
Select a metabolite to form the next generation.
dehydration
Probability 0.42
0.42
dehydration
Probability 0.42
0.42
15o
hydrogenation
Probability 0.42
0.42
oxygen reduction
Probability 0.42
0.42
hydroxylation
Probability 0.22
0.22
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