Substrate
/
Generation 1
XenoSite
Aconitine
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
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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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An oxidized polyvinyl alcohol
CC=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.66
0.66
Ethane
dehydration
Probability 0.66
0.66
15o
hydrogenation
Probability 0.66
0.66
A polyvinyl alcohol
oxygen reduction
Probability 0.66
0.66
A polyvinyl alcohol
hydroxylation
Probability 0.13
0.13
Glycolaldehyde
Showing 5 of 9 metabolites
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