Substrate
/
Generation 1
XenoSite
Anisotanol c
C=C(CO)C1CC2C3CC(O)C(O)C(C)C23C1
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
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CC1C(O)C(O)CC2C3CC(C4(CO)CO4)CC123
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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.
dealkylation
Probability 0.25
0.25
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dealkylation
Probability 0.25
0.25
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dealkylation
Probability 0.25
0.25
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Methanol
dealkylation
Probability 0.25
0.25
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Formic acid
dealkylation
Probability 0.25
0.25
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Methandiol
Showing 5 of 84 metabolites
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