Substrate
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Generation 1
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Generation 2
XenoSite
Anaerobilin
C=CC1=C(C)C(C=C)N=C1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(C=C)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C
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
C=CC1=C(C)C(C2CO2)N=C1C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(C=C)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
C=CC(C(=N)C=c1[nH]c(=CC2=NC(=Cc3[nH]cc(C=C)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C)=C(C)C(=O)C1CO1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
glucuronidation
Probability 0.60
0.60
glucuronidation
Probability 0.54
0.54