Substrate
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Generation 1
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Generation 2
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Generation 3
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
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Generation 1
Show metabolites
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
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Generation 2
Show metabolites
O=C(OC1CC2CCC(C1)N2)C(CO)C12C=CC=CC1O2
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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 3
Show metabolites
O=CC(CO)C12C=CC=CC1O2
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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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.59
0.59
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dehydration
Probability 0.59
0.59
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15o
hydrogenation
Probability 0.59
0.59
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oxygen reduction
Probability 0.59
0.59
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hydrogenation
Probability 0.16
0.16
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Showing 5 of 64 metabolites
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