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CHEBI:135453 - acetyldihydrocodeine

ChEBI IDCHEBI:135453
ChEBI Nameacetyldihydrocodeine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H25NO4
Net Charge0
Average Mass343.423
Monoisotopic Mass343.17836
SMILES[H][C@@]12CC[C@H](OC(C)=O)[C@]3([H])Oc4c(OC)ccc5c4[C@]13CCN(C)[C@]2([H])C5
InChIInChI=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
InChIKeyLGGDXXJAGWBUSL-BKRJIHRRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
acetyldihydrocodeine (CHEBI:135453) is a morphinane alkaloid (CHEBI:25418)
Synonyms  Source
O-AcetyldihydrocodeineDrugCentral
acetylcodoneDrugCentral
dihydrothebaconeDrugCentral
dihydrocodeine 6-acetateDrugCentral
Manual XrefsDatabases
69DrugCentral
Registry NumbersSources
CAS:3861-72-1DrugCentral