CHEBI:135453 - acetyldihydrocodeine

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ChEBI Name acetyldihydrocodeine
ChEBI ID CHEBI:135453
Stars This entity has been manually annotated by a third party.
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Formula C20H25NO4
Net Charge 0
Average Mass 343.418
Monoisotopic Mass 343.178
InChI InChI=1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
InChIKey LGGDXXJAGWBUSL-BKRJIHRRSA-N
SMILES O(C(C)=O)[C@@H]1[C@]2([C@]34C5=C(O2)C(OC)=CC=C5C[C@]([C@@]3(CC1)[H])(N(CC4)C)[H])[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing acetyldihydrocodeine (CHEBI:135453) is a morphinane alkaloid (CHEBI:25418)
Synonyms Sources
acetylcodone DrugCentral
dihydrocodeine 6-acetate DrugCentral
dihydrothebacone DrugCentral
O-Acetyldihydrocodeine DrugCentral
Manual Xref Database
69 DrugCentral
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Registry Number Type Source
3861-72-1 CAS Registry Number DrugCentral
Last Modified
23 February 2017