Substrate
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Generation 1
XenoSite
Aspernigrin b
COc1cc(C(Cc2ccccc2)n2cc(C(N)=O)c(=O)cc2Cc2ccccc2)oc(=O)c1
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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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COC1=CC(=O)OC2(C(Cc3ccccc3)n3cc(C(N)=O)c(=O)cc3Cc3ccccc3)OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.10
0.10
dealkylation
Probability 0.10
0.10
((sup 13)n)ammonia
dealkylation
Probability 0.09
0.09
dealkylation
Probability 0.09
0.09
dealkylation
Probability 0.09
0.09
Aspernigrin a
Showing 5 of 8 metabolites
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