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CHEBI:168092 - Noroxycodone

ChEBI IDCHEBI:168092
ChEBI NameNoroxycodone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H19NO4
Net Charge0
Average Mass301.342
Monoisotopic Mass301.13141
SMILES[H][C@]12Cc3ccc(OC)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
InChIKeyRIKMCJUNPCRFMW-ISWURRPUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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 (CHEBI:168092) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinolin-7-one
Manual XrefsDatabases
HMDB0041960HMDB
4590081ChemSpider
Registry NumbersSources
CAS:57664-96-7ChemIDplus