Substrate
/
Generation 1
/
Generation 2
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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Generation 1
Show metabolites
CC1CCCC2OC2C2CCC(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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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
Show metabolites
CC(CCO)OC(=O)CC1OC(C2OC2C)CCC1O
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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 3
Select a metabolite to form the next generation.
hydrolysis
Probability 0.67
0.67
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(s)-(+)-butane-1,3-diol
hydrolysis
Probability 0.67
0.67
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hydrolysis
Probability 0.67
0.67
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dealkylation
Probability 0.17
0.17
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dealkylation
Probability 0.17
0.17
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Showing 5 of 123 metabolites
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