Substrate
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Generation 1
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Generation 2
XenoSite
Achillin
CC1=CC(=O)C2=C(C)CCC3C(C)C(=O)OC3C12
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
CC1=CCC2=C(C)CCC3C(C)C(=O)OC3C12
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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
1,10-epoxy-6β-hydroxy-1β,5β,7α-guiai-3-en-12-oic acid γ-lactone
CC1=CCC23OC2(C)CCC2C(C)C(=O)OC2C13
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Select a metabolite to form the next generation.
quinone formation
Probability 0.00
0.00
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