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)C12OC1NC(CC1=CC=CC(=O)C1=O)=CC2=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 0.25
0.25
dna
Probability 0.21
0.21
dna
Probability 0.18
0.18
protein
Probability 0.16
0.16
protein
Probability 0.12
0.12
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