Substrate
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Generation 1
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Generation 2
XenoSite
Ascidiathiazone b
O=C(O)c1ccc2c(n1)C(=O)C1=C(NC=CS1(=O)=O)C2=O
CHEBI
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Description
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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 1
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O=C(O)c1ccc2c(n1)C(=O)C1=C(NC=CS1(=O)=O)C2O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC1=C(S(=O)(=O)C=CO)C(=O)c2nc(C(=O)O)ccc2C1O
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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.
epoxidation
Probability 0.66
0.66
epoxidation
Probability 0.21
0.21
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00
Showing 5 of 8 metabolites
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