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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
CC1=c2c(oc(=O)c3c(O)c(O)c(O)cc23)=CC2(O)OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.42
0.42
glutathionation
Probability 0.28
0.28
glutathionation
Probability 0.26
0.26
protein
Probability 0.25
0.25
dna
Probability 0.07
0.07
Showing 5 of 8 metabolites
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