Substrate
/
Generation 1
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Generation 2
XenoSite
Abietal
CC(C)C1=CC2=CCC3C(C)(C=O)CCCC3(C)C2CC1
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
CC(C)C12CCC3C(=CCC4C(C)(C=O)CCCC34C)C1O2
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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(C)C12CCC3C(=CCC4C(C)(C=O)C=CCC34C)C1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.41
0.41
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glutathionation
Probability 0.38
0.38
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cyanide
Probability 0.10
0.10
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dna
Probability 0.10
0.10
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