Substrate
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Generation 1
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Generation 2
XenoSite
Amaranthin
O=C(O)C1=CC(=CC=[N+]2c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3CC2C(=O)[O-])CC(C(=O)O)N1
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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
Show metabolites
O=C(O)C1=CC(CC=[N+]2c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3CC2C(=O)[O-])CC(C(=O)O)N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(O)C1=CC(CC=[N+]2C3=C(CC2C(=O)[O-])C2OC2(OC2OC(CO)C(O)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)C(O)=C3)CC(C(=O)O)N1
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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 0.18
0.18
glucuronidation
Probability 0.06
0.06
glucuronidation
Probability 0.06
0.06
glucuronidation
Probability 0.05
0.05
glucuronidation
Probability 0.04
0.04
Showing 5 of 11 metabolites
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