Substrate
/
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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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NC(=O)c1c[nH]c(C(=O)c2ccccc2)cc1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 2
Select a metabolite to form the next generation.
glutathionation
Probability 0.23
0.23
protein
Probability 0.15
0.15
glutathionation
Probability 0.10
0.10
dna
Probability 0.04
0.04
cyanide
Probability 0.03
0.03
Showing 5 of 12 metabolites
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