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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OCC1OC(Oc2c[nH]c3c2=C(Cl)C2(Br)OC2C=3)C(O)C(O)C1O
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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.
oxidative dehalogenation
Probability 0.10
0.10
Hydrogen bromide
oxidative dehalogenation
Probability 0.10
0.10
dealkylation
Probability 0.10
0.10
<small>l</small>-galactono-1,5-lactone
dealkylation
Probability 0.10
0.10
Hexopyranose
dealkylation
Probability 0.10
0.10
Showing 5 of 92 metabolites
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