Substrate
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Generation 1
/
Generation 2
/
Generation 3
XenoSite
Anthranil
c1ccc2nocc2c1
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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Oc1cccc2conc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=CC=C2C(=O)ON=C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=C1ON=C2C(=O)C3OC3C=C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.48
0.48
dna
Probability 0.26
0.26
glutathionation
Probability 0.24
0.24
glutathionation
Probability 0.18
0.18
protein
Probability 0.11
0.11
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