Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Alphitonin
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1
CHEBI
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Description
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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 1
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O=C(Cc1ccc(O)c(O)c1)C(=O)c1c(O)cc(O)cc1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=CC(CC(=O)C(=O)c2c(O)cc(O)cc2O)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C=CC(CC(=O)C(=O)C23OC2(O)C=C(O)C=C3O)=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.25
0.25
protein
Probability 0.15
0.15
dna
Probability 0.13
0.13
glutathionation
Probability 0.13
0.13
protein
Probability 0.10
0.10
Showing 5 of 12 metabolites
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