Substrate
/
Generation 1
XenoSite
Arabidopside b
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC1C=CC(=O)C1CC=CCC
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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=CCC1C(=O)C=CC1CCCCCCCC(=O)OC(COC(=O)CCCCCCCC1C=CC(=O)C1CC1OC1CC)COC1OC(CO)C(O)C(O)C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.64
0.64
hydrolysis
Probability 0.64
0.64
9s,13r-12-oxophytodienoic acid
hydrolysis
Probability 0.64
0.64
hydrolysis
Probability 0.56
0.56
hydrolysis
Probability 0.56
0.56
Showing 5 of 285 metabolites
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