Substrate
/
Generation 1
XenoSite
Alpha-ochratoxin
CC1Cc2c(Cl)cc(C(=O)O)c(O)c2C(=O)O1
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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CC1CC2=C(Cl)C3OC3(C(=O)O)C(O)=C2C(=O)O1
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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.
hydrolysis
Probability 0.09
0.09
hydrolysis
Probability 0.09
0.09
hydrogenation
Probability 0.06
0.06
epoxide opening
Probability 0.05
0.05
epoxide opening
Probability 0.05
0.05
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