Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Anthranil
c1ccc2nocc2c1
CHEBI
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Description
▾
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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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Show metabolites
OC12CCC=CC1=CONO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 4
Show metabolites
O=C1C=C2C(=O)ONOC2(O)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 5
Maximum generation reached — metabolites here can't start another hop.
glutathionation
Probability 0.04
0.04
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dna
Probability 0.01
0.01
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protein
Probability 0.01
0.01
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cyanide
Probability 0.00
0.00
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