Substrate
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Generation 1
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
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Generation 1
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COc1cc(C(Cc2ccccc2)n2cc(C(N)=O)c(=O)cc2C=C2C=CC=CC2=O)oc(=O)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Select a metabolite to form the next generation.
n dealkylation
Probability 0.08
0.08
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n dealkylation
Probability 0.08
0.08
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n dealkylation
Probability 0.08
0.08
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n dealkylation
Probability 0.07
0.07
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n dealkylation
Probability 0.07
0.07
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((sup 13)n)ammonia
Showing 5 of 8 metabolites
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