Substrate
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Generation 1
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
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Generation 1
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CC(C)(O)CCC12C=CC(O)=C3C(=O)c4c(cc5c(c4O)C4(O)C=COC4O5)OC31O2
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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 0.13
0.13
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dehydration
Probability 0.13
0.13
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15o
hydrogenation
Probability 0.13
0.13
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oxygen reduction
Probability 0.13
0.13
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dealkylation
Probability 0.10
0.10
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Showing 5 of 108 metabolites
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