Substrate
/
Generation 1
XenoSite
Angelitriol
COc1cc2oc(=O)ccc2cc1C(O)C(O)C(C)(C)O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Show metabolites
COc1cc2c(cc1C(O)C(O)C(C)(C)O)C1OC1C(=O)O2
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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.
dealkylation
Probability 0.46
0.46
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Formaldehyde
dealkylation
Probability 0.46
0.46
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dealkylation
Probability 0.46
0.46
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Methanol
dealkylation
Probability 0.46
0.46
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Formic acid
hydrolysis
Probability 0.15
0.15
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Showing 5 of 94 metabolites
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