EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190614 - Noroxycodone-d3

ChEBI IDCHEBI:190614
ChEBI NameNoroxycodone-d3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16D3NO4
Net Charge0
Average Mass304.360
Monoisotopic Mass304.15024
SMILES[H][C@]12Cc3ccc(OC([2H])([2H])[2H])c4c3[C@]3(CCN1)[C@@]2(O)CCC(=O)[C@]3([H])O4
InChIInChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1/i1D3
InChIKeyRIKMCJUNPCRFMW-ZXTOONLTSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Noroxycodone-d3 (CHEBI:190614) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4R,4aS,7aR,12bS)-4a-hydroxy-9-(trideuteriomethoxy)-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinolin-7-one
Manual XrefsDatabases
48062369ChemSpider