Substrate
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Generation 1
XenoSite
Aclacinomycin s
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2[O-])C(=O)c2c(O)cccc2C3=O)C1C(=O)OC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)[c-]2c(cc3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Select a metabolite to form the next generation.
n dealkylation
Probability 0.14
0.14
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Formaldehyde
n dealkylation
Probability 0.14
0.14
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n dealkylation
Probability 0.14
0.14
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Methanol
n dealkylation
Probability 0.14
0.14
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Formic acid
n dealkylation
Probability 0.01
0.01
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Showing 5 of 7 metabolites
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