Substrate
/
Generation 1
XenoSite
Bcig
OCC1OC(Oc2c[nH]c3ccc(Br)c(Cl)c23)C(O)C(O)C1O
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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O=C1C=CC2=NC=C(OC3OC(CO)C(O)C(O)C3O)C2=C1Cl
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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.
dehydration
Probability 0.37
0.37
15o
dehydration
Probability 0.37
0.37
hydrogenation
Probability 0.37
0.37
oxygen reduction
Probability 0.37
0.37
hydrogenation
Probability 0.28
0.28
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