Substrate
/
Generation 1
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
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
Select a metabolite to form the next generation.
dealkylation
Probability 0.44
0.44
Formaldehyde
dealkylation
Probability 0.44
0.44
Methanol
dealkylation
Probability 0.44
0.44
dealkylation
Probability 0.44
0.44
Formic acid