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
Generation 1
Show metabolites
CNC1CCC(O)CC(OC(=O)C(CO)c2ccccc2)C1
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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.
dealkylation
Probability 0.70
0.70
Formaldehyde
dealkylation
Probability 0.70
0.70
Methanol
dealkylation
Probability 0.70
0.70
dealkylation
Probability 0.70
0.70
Formic acid
dehydrogenation
Probability 0.00
0.00