Substrate
/
Generation 1
/
Generation 2
XenoSite
Agnoside
O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1
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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O=C(OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1
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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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P-hydroxybenzaldehyde
O=Cc1ccc(O)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.46
0.46
protein
Probability 0.45
0.45
dna
Probability 0.33
0.33
dna
Probability 0.08
0.08
glutathionation
Probability 0.06
0.06
Showing 5 of 8 metabolites
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