Substrate
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Generation 1
XenoSite
Aristoloterpenate i
COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)OC3C=C(C=O)CCC=C(C)CCC=C(C)C3)cc3c(c12)OCO3
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
Show metabolites
COC12OC1C=Cc1c2cc([N+](=O)[O-])c2c(C(=O)OC3C=C(C=O)CCC=C(C)CCC=C(C)C3)cc3c(c12)OCO3
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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.
hydrolysis
Probability 0.51
0.51
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hydrolysis
Probability 0.51
0.51
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hydrolysis
Probability 0.51
0.51
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dealkylation
Probability 0.00
0.00
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dealkylation
Probability 0.00
0.00
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