Substrate
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Generation 1
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Generation 2
XenoSite
Agnoside
O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=C(OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1
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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 2
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Catalpol
OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O
CHEBI
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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 0.19
0.19
glucuronidation
Probability 0.17
0.17
glucuronidation
Probability 0.10
0.10
glucuronidation
Probability 0.05
0.05
glucuronidation
Probability 0.05
0.05
Showing 5 of 6 metabolites
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