Substrate
/
Generation 1
/
Generation 2
XenoSite
Abietal
CC(C)C1=CC2=CCC3C(C)(C=O)CCCC3(C)C2CC1
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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Abietol
CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CC(C)C12CCC3C(=CCC4C(C)(CO)CCCC34C)C1O2
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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 0.42
0.42
dna
Probability 0.18
0.18
protein
Probability 0.10
0.10
dna
Probability 0.03
0.03
cyanide
Probability 0.01
0.01
Showing 5 of 8 metabolites
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