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CHEBI:16184 - 7-O-acetylsalutaridinol

ChEBI IDCHEBI:16184
ChEBI Name7-O-acetylsalutaridinol
Stars
ASCII Name7-O-acetylsalutaridinol
Secondary ChEBI IDsCHEBI:2279, CHEBI:12253, CHEBI:20777
Last Modified1 October 2010
DownloadsMolfile
FormulaC21H25NO5
Net Charge0
Average Mass371.433
Monoisotopic Mass371.17327
SMILESCOC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)C3=C[C@@H]1OC(C)=O
InChIInChI=1S/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3/t15-,17+,21+/m1/s1
InChIKeyDNOMLUPMYHAJIY-KUDFPVQQSA-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)
7-O-acetylsalutaridinol (CHEBI:16184) has functional parent (7S)-salutaridinol (CHEBI:18373)
7-O-acetylsalutaridinol (CHEBI:16184) is a morphinane alkaloid (CHEBI:25418)
7-O-acetylsalutaridinol (CHEBI:16184) is conjugate base of 7-O-acetylsalutaridinol(1+) (CHEBI:57672)
Incoming Relation(s)
7-O-acetylsalutaridinol(1+) (CHEBI:57672) is conjugate acid of 7-O-acetylsalutaridinol (CHEBI:16184)
IUPAC Name 
4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7α-yl acetate
Synonyms  Source
7-O-AcetylsalutaridinolKEGG COMPOUND
Salutaridinol acetateKEGG COMPOUND
7-O-acetylsalutaridinolChEBI
Manual XrefsDatabases
C05322KEGG COMPOUND
Registry NumbersSources
Beilstein:6826994Beilstein