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CHEBI:16315 - morphinone

ChEBI IDCHEBI:16315
ChEBI Namemorphinone
Stars
Secondary ChEBI IDsCHEBI:7004, CHEBI:14623, CHEBI:25420
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H17NO3
Net Charge0
Average Mass283.327
Monoisotopic Mass283.12084
SMILES[H][C@@]12C=CC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1
InChIKeyPFBSOANQDDTNGJ-YNHQPCIGSA-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)
morphinone (CHEBI:16315) has functional parent morphine (CHEBI:17303)
morphinone (CHEBI:16315) is a morphinane alkaloid (CHEBI:25418)
morphinone (CHEBI:16315) is conjugate base of morphiniumone(1+) (CHEBI:57728)
Incoming Relation(s)
morphiniumone(1+) (CHEBI:57728) is conjugate acid of morphinone (CHEBI:16315)
IUPAC Name 
3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxy-5α-morphinan-6-one
Synonyms  Source
MorphinoneKEGG COMPOUND
Didehydro-4,5-alpha-epoxy-3-hydroxy-17-methylmorphinan-6-oneChemIDplus
Manual XrefsDatabases
C01735KEGG COMPOUND
Registry NumbersSources
CAS:467-02-7ChemIDplus
CAS:467-02-7KEGG COMPOUND