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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CC1CC23OC2(Cl)C=C(C(=O)O)C(O)=C3C(=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.
oxidative dehalogenation
Probability 0.16
0.16
oxidative dehalogenation
Probability 0.16
0.16
Acidum hydrochloricum
hydrolysis
Probability 0.05
0.05
hydrolysis
Probability 0.05
0.05
hydrogenation
Probability 0.04
0.04
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