Substrate
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Generation 1
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Generation 2
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(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(C(=O)c3c(O)c(S(=O)(=O)O)c(O)c(O)c31)C(O)=C(O)C1(O)OC21O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
glucuronidation
Probability 0.24
0.24
glucuronidation
Probability 0.22
0.22
glucuronidation
Probability 0.21
0.21
glucuronidation
Probability 0.13
0.13
glucuronidation
Probability 0.11
0.11
Showing 5 of 7 metabolites
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