Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Aspermutarubrol
Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1
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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Cc1cc(O)c(O)c(Oc2cccc(O)c2O)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
Cc1cc(O)c(O)c(OC2=CC=CC3(O)OC23O)c1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CC1=CC(=O)C(=O)C(OC2=CC=CC3(O)OC23O)=C1
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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.
glutathionation
Probability 0.50
0.50
protein
Probability 0.38
0.38
protein
Probability 0.14
0.14
glutathionation
Probability 0.13
0.13
dna
Probability 0.12
0.12
Showing 5 of 12 metabolites
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