Substrate
/
Generation 1
/
Generation 2
XenoSite
Alternariol
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
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
Show metabolites
CC1=c2c(oc(=O)c3c(O)cc(O)cc23)=CC2(O)OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC1=c2c3c(c(=O)oc2=CC2(O)OC12)C(=O)C=C(O)C3=O
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.20
0.20
dehydration
Probability 0.20
0.20
15o
hydrogenation
Probability 0.20
0.20
oxygen reduction
Probability 0.20
0.20