Substrate
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Generation 1
XenoSite
Azocarmine g anion
O=S(=O)([O-])c1ccc(Nc2cc3c(nc4ccccc4[n+]3-c3ccccc3)c3ccc(S(=O)(=O)[O-])cc23)cc1
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
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Phenol
Oc1ccccc1
CHEBI
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Description
▾
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 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.20
0.20
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Hydroquinone
hydroxylation
Probability 0.11
0.11
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Catechol
hydroxylation
Probability 0.08
0.08
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Resorcinol
epoxidation
Probability 0.04
0.04
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epoxidation
Probability 0.03
0.03
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Showing 5 of 20 metabolites
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