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CHEBI:174041 - Nordihydrocodeine

ChEBI IDCHEBI:174041
ChEBI NameNordihydrocodeine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO3
Net Charge0
Average Mass287.359
Monoisotopic Mass287.15214
SMILES[H][C@]12Cc3ccc(OC)c4c3[C@@]3(CCN1)C(O4)[C@@H](O)CCC32
InChIInChI=1S/C17H21NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2,5,10-12,16,18-19H,3-4,6-8H2,1H3/t10?,11-,12+,16?,17+/m1/s1
InChIKeyIKGNKASQBMZRJL-YGJOGQJWSA-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)
Nordihydrocodeine (CHEBI:174041) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
(4R,7S,12bS)-9-methoxy-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzouro[3,2-e]isoquinolin-7-ol
Manual XrefsDatabases
HMDB0041956HMDB
2340821ChemSpider