Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Angenomalin
C=C(C)C1Cc2c(ccc3ccc(=O)oc23)O1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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C=C(C)C1CC2=C(O1)C1OC1c1ccc(=O)oc12
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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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C=C(CO)C1CC2=C(O1)C1OC1c1ccc(=O)oc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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C=C(CO)C1CC2=C(O1)C1OC1C1=C2OC(=O)C(=O)C1=O
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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 0.27
0.27
glutathionation
Probability 0.19
0.19
dna
Probability 0.15
0.15
protein
Probability 0.12
0.12
dna
Probability 0.10
0.10
Showing 5 of 12 metabolites
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