Substrate
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Generation 1
XenoSite
Acumitin
O=C(CCc1ccccc1)c1c(O)c(Cc2ccccc2O)c(O)c2c(=O)c3ccccc3oc12
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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O=C(CCC1=CC2OC2C=C1)c1c(O)c(Cc2ccccc2O)c(O)c2c(=O)c3ccccc3oc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.28
0.28
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15o
dehydration
Probability 0.28
0.28
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hydrogenation
Probability 0.28
0.28
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oxygen reduction
Probability 0.28
0.28
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hydrogenation
Probability 0.19
0.19
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Showing 5 of 209 metabolites
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