Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Altenusin
COc1cc(O)c(C(=O)O)c(-c2cc(O)c(O)cc2C)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
Show metabolites
C=c1cc(O)c(O)cc1=C1C(=O)C(OC)=CC(O)=C1C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
C=c1cc(O)c(O)cc1=C1C(C(=O)O)=C(O)C=C(OC)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
COC1=CC(O)=C(C(=O)O)C(=C2C=C(O)C(O)=CC23CO3)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
epoxidation
Probability 0.23
0.23
epoxidation
Probability 0.15
0.15
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.01
0.01