Substrate
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Generation 1
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Generation 2
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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
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Generation 1
Show metabolites
C1=CC2=CON3OC23C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
OC12C=CC=CC1=CONO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
O=C1C=CC2(O)ONOC(=O)C2=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 4
Select a metabolite to form the next generation.
dehydration
Probability 0.47
0.47
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15o
dehydration
Probability 0.47
0.47
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hydrogenation
Probability 0.47
0.47
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oxygen reduction
Probability 0.47
0.47
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nitrogen reduction
Probability 0.46
0.46
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((sup 13)n)ammonia
Showing 5 of 49 metabolites
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