XenoSite
Ajugose
OCC1OC(OCC2OC(OCC3OC(OCC4OC(OCC5OC(OC6(CO)OC(CO)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
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Description
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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 1
Select a metabolite to form the next generation.
dealkylation
Probability 0.04
0.04
2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
dealkylation
Probability 0.04
0.04
Alpha-d-galacto-hexopyranosyl-(1->6)-alpha-d-galacto-hexopyranosyl-(1->6)-alpha-d-galacto-hexopyranosyl-(1->6)-alpha-d-galacto-hexopyranosyl-(1->6)-d-gluco-hexopyranose
dealkylation
Probability 0.02
0.02
Methanol
dealkylation
Probability 0.02
0.02
Formic acid
dealkylation
Probability 0.02
0.02
Showing 5 of 275 metabolites
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