Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Alizarin cyanin bbs free acid
O=C1c2c(O)c(O)c(S(=O)(=O)O)c(O)c2C(=O)c2c(O)c(O)c(S(=O)(=O)O)c(O)c21
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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=C1c2c(O)c(S(=O)(=O)O)c(O)c(O)c2C(O)c2c(O)c(S(=O)(=O)O)c(O)c(O)c21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C2=C(O)C3(O)OC3(S(=O)(=O)O)C(O)=C2C(O)c2c(O)c(O)c(S(=O)(=O)O)c(O)c21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C(O)=C(S(=O)(=O)O)C(O)=C2C(=O)C3=C(O)C4(O)OC4(S(=O)(=O)O)C(O)=C3C(O)=C12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
glucuronidation
Probability 0.11
0.11
glucuronidation
Probability 0.08
0.08
glucuronidation
Probability 0.06
0.06
glucuronidation
Probability 0.05
0.05
glucuronidation
Probability 0.04
0.04
Showing 5 of 6 metabolites
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