Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Austocystin d
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41O
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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CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c(C4(O)C=COC4=O)c(O)cc3oc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C)(O)CCC12C=CC(O)=C3C(=O)c4c(cc(O)c(C5(O)C=COC5=O)c4O)OC31O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(C)(O)CCC12C=CC(O)=C3C(=O)C4=C(OC31O2)C(=O)C(=O)C(C1(O)C=COC1=O)=C4O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.06
0.06
glutathionation
Probability 0.05
0.05
dna
Probability 0.05
0.05
glutathionation
Probability 0.01
0.01
dna
Probability 0.01
0.01
Showing 5 of 8 metabolites
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