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
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COC1=CC2OC2c2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c21)OCO3
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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
O=C(O)c1cc2c(c3c4c(cc([N+](=O)[O-])c13)C(O)=CC1OC41)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Show metabolites
*C1c2c(cc([N+](=O)[O-])c3c(C(=O)O)cc4c(c23)OCO4)C(O)=CC1O |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;$|
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glutathionation · 0.66