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CHEBI:177510 - 7,8-Didehydro-4,5-epoxymorphinan-3,6-diol

Default Structure
ChEBI IDCHEBI:177510
ChEBI Name7,8-Didehydro-4,5-epoxymorphinan-3,6-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17NO3
Net Charge0
Average Mass271.316
Monoisotopic Mass271.12084
SMILES[H][C@@]12C=CC(O)C3Oc4c(O)ccc5c4[C@@]31CCN[C@]2([H])C5
InChIInChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12?,15?,16-/m0/s1
InChIKeyONBWJWYUHXVEJS-MNXNZOQKSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
7,8-Didehydro-4,5-epoxymorphinan-3,6-diol (CHEBI:177510) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
(4R,4aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinoline-7,9-diol
Manual XrefsDatabases
16739390ChemSpider