Substrate
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Generation 1
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Generation 2
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
About this model
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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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Generation 2
Show metabolites
CC(C)(O)CCC12C=CC(O)=C(C(=O)C3=C(O)C4=C(OC5OC=CC45O)C(=O)C3=O)C1O2
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.21
0.21
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hydrogenation
Probability 0.12
0.12
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hydrogenation
Probability 0.09
0.09
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hydrogenation
Probability 0.07
0.07
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dealkylation
Probability 0.07
0.07
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Showing 5 of 111 metabolites
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