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)NC(CCCO)C(=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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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
quinone formation
Probability 0.00
0.00
Tennesine hydride
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
Tennesine hydride
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
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