Substrate
/
Generation 1
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Generation 2
XenoSite
Asnovolin k
COC(=O)C1=C(C)C2(C)CC3(OC2=C(C)C1=O)C(C)CCC1C(C)(C)OC(=O)CCC13C
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
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COC(=O)C1=C(C)C2(C)CC3(OC2=C(C)C1O)C(C)CCC1C(C)(C)OC(=O)CCC13C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COC(=O)C12OC1(C)C1(C)CC3(OC1=C(C)C2O)C(C)CCC1C(C)(C)OC(=O)CCC13C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.02
0.02
glutathionation
Probability 0.01
0.01
protein
Probability 0.00
0.00
protein
Probability 0.00
0.00
cyanide
Probability 0.00
0.00
Showing 5 of 8 metabolites
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