Substrate
/
Generation 1
XenoSite
Aspergillide b
CC1CCCC=CC2CCC(O)C(CC(=O)O1)O2
CHEBI
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Description
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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
CC1CCCC=CC2OC(CC(=O)O1)C(O)CC2=O
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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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.42
0.42
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Aspergillide b
dehydration
Probability 0.42
0.42
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15o
hydrogenation
Probability 0.42
0.42
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oxygen reduction
Probability 0.42
0.42
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hydrolysis
Probability 0.37
0.37
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Showing 5 of 98 metabolites
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