Substrate
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Generation 1
XenoSite
Aspernigrin a
NC(=O)c1c[nH]c(Cc2ccccc2)cc1=O
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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NC(=O)c1c[nH]c(CC2=CC=CC(=O)C2=O)cc1=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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.37
0.37
dehydration
Probability 0.37
0.37
15o
hydrogenation
Probability 0.37
0.37
oxygen reduction
Probability 0.37
0.37
dehydration
Probability 0.23
0.23
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