Substrate
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Generation 1
XenoSite
Abacopterin b
COc1ccc(C2CC3OC4C(Oc5c(C)c(O)c(C)c(c53)O2)OC(CO)C(O)C4OC(C)=O)cc1
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
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COc1ccc(C2CC3=C4C(=C(C)C(=O)C(C)=C4OC4OC(CO)C(O)C(OC(C)=O)C4O3)O2)cc1
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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 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.53
0.53
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(11c)acetic acid
hydrolysis
Probability 0.53
0.53
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An oxidized polyvinyl alcohol
hydrolysis
Probability 0.53
0.53
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dealkylation
Probability 0.49
0.49
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Formaldehyde
dealkylation
Probability 0.49
0.49
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Showing 5 of 154 metabolites
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