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CHEBI:174317 - alpha-oxycodol

ChEBI IDCHEBI:174317
ChEBI Namealpha-oxycodol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23NO4
Net Charge0
Average Mass317.385
Monoisotopic Mass317.16271
SMILES[H][C@@]12Oc3c(OC)ccc4c3[C@@]13CCN(C)C(C4)[C@]3(O)CC[C@@H]2O
InChIInChI=1S/C18H23NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13?,16-,17-,18+/m0/s1
InChIKeyLHTAJTFGGUDLRH-FHHXKLHRSA-N
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)
alpha-oxycodol (CHEBI:174317) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinoline-4a,7-diol
Manual XrefsDatabases
HMDB0061077HMDB
35031841ChemSpider