Substrate
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Generation 1
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Generation 2
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Generation 3
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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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(O)cccc13)OCO2
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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
O=C(O)c1cc2c(c3c1c(O)cc1c(O)cccc13)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
O=C(O)c1cc2c(c3c1C(=O)C(=O)c1c(O)cccc1-3)OCO2
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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 4
Select a metabolite to form the next generation.
hydrogenation
Probability 0.23
0.23
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hydrogenation
Probability 0.20
0.20
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dealkylation
Probability 0.20
0.20
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dealkylation
Probability 0.20
0.20
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dealkylation
Probability 0.20
0.20
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Showing 5 of 111 metabolites
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