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)C(=O)Cc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C)(O)C(=O)Cc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC2OC2C41O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(C)(O)C(=O)Cc1ccc(O)c2c(=O)c3c(oc12)C(=O)C1=C(C3=O)C2(O)C(O1)OC1OC12
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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.
dna
Probability 0.66
0.66
glutathionation
Probability 0.45
0.45
protein
Probability 0.38
0.38
cyanide
Probability 0.03
0.03
glutathionation
Probability 0.02
0.02
Showing 5 of 8 metabolites
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