Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Austocystin d
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41O
CHEBI
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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
CC(C)(O)C(=O)Cc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C)(O)C(=O)CC12OC1C=C(O)c1c2oc2cc3c(c(O)c2c1=O)C1(O)C=COC1O3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(C)(O)C(=O)CC12OC1C=C(O)c1c2oc2c(c1=O)C(O)=C(C1(O)C=COC1)C(=O)C2=O
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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 0.57
0.57
glucuronidation
Probability 0.44
0.44
glucuronidation
Probability 0.07
0.07
glucuronidation
Probability 0.05
0.05