Substrate
/
Generation 1
/
Generation 2
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
Show metabolites
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
Generation 2
Show metabolites
NC(=O)c1c[nH]c(CC2=CC3OC3C(=O)C2=O)cc1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.42
0.42
dna
Probability 0.32
0.32
protein
Probability 0.14
0.14
glutathionation
Probability 0.11
0.11
dna
Probability 0.08
0.08
Showing 5 of 16 metabolites
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