Substrate
/
Generation 1
/
Generation 2
XenoSite
Austocystin d
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41O
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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CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c(C4(O)C=COC4=O)c(O)cc3oc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(oc12)C=C(O)C1(C2(O)C=COC2=O)OC31O
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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 0.38
0.38
glutathionation
Probability 0.24
0.24
protein
Probability 0.13
0.13
glutathionation
Probability 0.02
0.02
protein
Probability 0.00
0.00
Showing 5 of 8 metabolites
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