Substrate
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Generation 1
XenoSite
Angenomalin
C=C(C)C1Cc2c(ccc3ccc(=O)oc23)O1
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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C=C(C)C1CC2=C(O1)C(=O)C(=O)c1ccc(=O)oc12
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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 0.33
0.33
dehydration
Probability 0.33
0.33
15o
hydrogenation
Probability 0.33
0.33
oxygen reduction
Probability 0.33
0.33
epoxidation
Probability 0.21
0.21
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