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
Generation 1
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CC(C)(O)CCc1ccc(O)c2c(=O)c3c(oc12)C(=O)C1=C(C3=O)C2(O)C=COC2O1
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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 2
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CC(C)(O)CCc1ccc(O)c2c(=O)c3c(oc12)CC1=C(C3=O)C2(O)C=COC2O1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(C)(O)CCc1ccc(O)c2c1OC13CC4=C(C(=O)C1(O3)C2=O)C1(O)C=COC1O4
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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 0.09
0.09
protein
Probability 0.07
0.07
glutathionation
Probability 0.01
0.01
glutathionation
Probability 0.01
0.01
protein
Probability 0.00
0.00
Showing 5 of 8 metabolites
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