Substrate
/
Generation 1
XenoSite
Antinonnin
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
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
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CC12OC1C([N+](=O)[O-])=CC([N+](=O)[O-])=C2O
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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 0.25
0.25
Formaldehyde
dealkylation
Probability 0.25
0.25
Methanol
dealkylation
Probability 0.25
0.25
dehydration
Probability 0.23
0.23
dehydration
Probability 0.23
0.23
15o
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