Substrate
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Generation 1
XenoSite
Apratoxin d
CCC(C)C1C(=O)N2CCCC2C(=O)OC(C(C)CC(C)(C)C)CC(C)CC(O)C(C)C2=NC(C=C(C)C(=O)NC(Cc3ccc(OC)cc3)C(=O)N(C)C(C)C(=O)N1C)CS2
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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CCC(C)C1C(=O)N2CCCC2C(=O)OC(C(C)CC(C)(C)C)CC(C)CC(O)C(C)C2=NC(C=C(C)C(=O)NC(CC3=CC(=O)C(=O)C=C3)C(=O)N(C)C(C)C(=O)N1C)CS2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.38
0.38
dealkylation
Probability 0.38
0.38
dealkylation
Probability 0.38
0.38
dealkylation
Probability 0.29
0.29
Formaldehyde
dealkylation
Probability 0.29
0.29
Showing 5 of 25 metabolites
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