Substrate
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Generation 1
/
Generation 2
XenoSite
Aspernigrin b
COc1cc(C(Cc2ccccc2)n2cc(C(N)=O)c(=O)cc2Cc2ccccc2)oc(=O)c1
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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Aspernigrin a
NC(=O)c1c[nH]c(Cc2ccccc2)cc1=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
NC(=O)C1=CNC(=Cc2ccccc2)C(=O)C1=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.
dna
Probability 0.69
0.69
glutathionation
Probability 0.62
0.62
protein
Probability 0.47
0.47
glutathionation
Probability 0.31
0.31
protein
Probability 0.19
0.19
Showing 5 of 8 metabolites
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