Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Aspermutarubrol
Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1
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
Show metabolites
Cc1cc(O)c(O)c(Oc2cc(CO)cc(O)c2O)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC1=CC2(Oc3cc(CO)cc(O)c3O)OC2(O)C(O)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC1=CC2(OC3=CC(CO)=CC(=O)C3=O)OC2(O)C(O)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
glucuronidation
Probability 0.43
0.43
glucuronidation
Probability 0.38
0.38
glucuronidation
Probability 0.01
0.01