Substrate
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Generation 1
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Generation 2
XenoSite
Auroxanthin
CC(C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1)=CC=CC=C(C)C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1
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
Show metabolites
CC(C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1)=CC1OC1C=C(C)C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C=CC=C(C)C1C=C2C(C)(C)CC(O)CC2(C)O1)=CC1OC1C=C(C)C=CC1OC1(C)C1C=C2C(C)(C)CC(O)CC2(C)O1
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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.
dna
Probability 0.15
0.15
dna
Probability 0.15
0.15
dna
Probability 0.13
0.13
glutathionation
Probability 0.09
0.09
glutathionation
Probability 0.09
0.09
Showing 5 of 16 metabolites
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