Substrate
/
Generation 1
XenoSite
Atropine
C[NH+]1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
CHEBI
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Description
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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 1
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O=CC(CO)c1ccccc1
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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 0.65
0.65
2-phenyl-1-propanol
dehydration
Probability 0.65
0.65
15o
hydrogenation
Probability 0.65
0.65
oxygen reduction
Probability 0.65
0.65
hydroxylation
Probability 0.15
0.15
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