Substrate
/
Generation 1
/
Generation 2
XenoSite
Aspergillide b
CC1CCCC=CC2CCC(O)C(CC(=O)O1)O2
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 1
Show metabolites
CC1CC(O)CC=CC2CCC(O)C(CC(=O)O1)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
CC1CC(O)CC(=O)C(=O)C2CCC(O)C(CC(=O)O1)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Select a metabolite to form the next generation.
glucuronidation
Probability 0.78
0.78
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glucuronidation
Probability 0.65
0.65
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