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
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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COc1cccc2c3c(c([N+](=O)[O-])cc12)C(C(=O)O)=CC(=O)C3=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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COC1=c2cc([N+](=O)[O-])c3c(c2=CC2OC12)C(=O)C(=O)C=C3C(=O)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
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Formaldehyde
C=O
CHEBI
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Description
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dealkylation · 0.29
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation