Substrate
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Generation 1
XenoSite
Andrastin c
COC(=O)C12C([O-])=C(C)C(=O)C1(C)C(C)=CC1C3(C)CCC(OC(C)=O)C(C)(C)C3CCC12C
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
CC(=O)OC1CCC2(C)C(CCC3(C)C2C=C(C)C2(C)C(=O)C(C)=C([O-])C23C=O)C1(C)C
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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 2
Select a metabolite to form the next generation.
protein
Probability 0.37
0.37
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glutathionation
Probability 0.24
0.24
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dna
Probability 0.16
0.16
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cyanide
Probability 0.03
0.03
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