Substrate
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Generation 1
XenoSite
Asperlicin e
O=C1c2ccccc2-n2c(nc3ccccc3c2=O)C2CC3(O)c4ccccc4NC3N12
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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N=C1C(=O)C=CC=C1C1(O)CC2c3nc4ccccc4c(=O)n3-c3ccccc3C(=O)N2C1
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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 0.34
0.34
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dehydration
Probability 0.34
0.34
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15o
hydrogenation
Probability 0.34
0.34
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oxygen reduction
Probability 0.34
0.34
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hydrogenation
Probability 0.33
0.33
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Showing 5 of 139 metabolites
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