Substrate
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Generation 1
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Generation 2
XenoSite
Asperlicin e
O=C1c2ccccc2-n2c(nc3ccccc3c2=O)C2CC3(O)c4ccccc4NC3N12
CHEBI
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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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N=C1C(=O)C=CC=C1C1(O)CC2c3nc4ccccc4c(=O)n3-c3ccccc3C(=O)N2C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
N=C1C(=O)C=CC=C1C(O)(C=O)CC1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.08
0.08
epoxidation
Probability 0.04
0.04
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.00
0.00
epoxidation
Probability 0.00
0.00
Showing 5 of 16 metabolites
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