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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	7,8-Didehydro-4,5-epoxymorphinan-3,6-diol

ChEBI ID	CHEBI:177510

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H17NO3

Net Charge

Average Mass

271.316

Monoisotopic Mass

271.12084

InChI

InChI=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

InChIKey

ONBWJWYUHXVEJS-MNXNZOQKSA-N

SMILES

O1C2[C@]34[C@]([C@](NCC3)(CC5=C4C1=C(O)C=C5)[H])(C=CC2O)[H]

Metabolite of Species	Details
Sus scrofa (NCBI:txid9823)	Found in sausage (ENVO:00002166). See: MetaboLights Study

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	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