Substrate
/
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
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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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COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)OC3CC(C)=CCCC(C)=CCCC4(C=O)OC34)cc3c(c12)OCO3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 2
Select a metabolite to form the next generation.
protein
Probability 0.16
0.16
dna
Probability 0.11
0.11
cyanide
Probability 0.10
0.10
glutathionation
Probability 0.09
0.09
glutathionation
Probability 0.08
0.08
Showing 5 of 12 metabolites
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