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CHEBI:181098 - 4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one

ChEBI IDCHEBI:181098
ChEBI Name4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23NO4
Net Charge0
Average Mass329.396
Monoisotopic Mass329.16271
SMILESCOC1=CC2C3Cc4ccc(OC)c(O)c4C2(CCN3C)CC1=O
InChIInChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3
InChIKeyINYYVPJSBIVGPH-UHFFFAOYSA-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)
4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one (CHEBI:181098) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Manual XrefsDatabases
368395ChemSpider