Substrate
/
Generation 1
XenoSite
Atropine
CN1C2CCC1CC(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
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Norhyoscyamine
O=C(OC1CC2CCC(C1)N2)C(CO)c1ccccc1
CHEBI
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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.
hydrolysis
Probability 0.75
0.75
(<i>r</i>)-tropic acid
hydrolysis
Probability 0.75
0.75
hydrolysis
Probability 0.75
0.75
Nor-psi-tropine
dealkylation
Probability 0.16
0.16
dealkylation
Probability 0.16
0.16
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