Substrate
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Generation 1
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Generation 2
XenoSite
Aristolochic acid a
COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
COc1cccc2c1cc(O)c1c(C(=O)O)cc3c(c12)OCO3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
COc1cccc2c3c(c(O)cc12)C(C(=O)O)=CC12OCOC31O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.17
0.17
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dealkylation
Probability 0.17
0.17
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dealkylation
Probability 0.17
0.17
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