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CHEBI:174043 - Nordihydroisomorphine

ChEBI IDCHEBI:174043
ChEBI NameNordihydroisomorphine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO3
Net Charge0
Average Mass287.359
Monoisotopic Mass287.15214
SMILESCN1CCC23c4c5ccc(O)c4OC2[C@H](O)CCC3C1C5
InChIInChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11?,13-,16?,17?/m1/s1
InChIKeyIJVCSMSMFSCRME-GALYBCADSA-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)
Nordihydroisomorphine (CHEBI:174043) is a morphinane alkaloid (CHEBI:25418)
IUPAC Name 
(7R)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzouro[3,2-e]isoquinoline-7,9-diol
Manual XrefsDatabases
HMDB0060854HMDB
35031792ChemSpider