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CHEBI:228636 - 6alpha-Oxycodol N-oxide

ChEBI IDCHEBI:228636
ChEBI Name6alpha-Oxycodol N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23NO5
Net Charge0
Average Mass333.384
Monoisotopic Mass333.15762
SMILES[H][C@@]12Oc3c(OC)ccc4c3[C@@]13CC[N@+](C)([O-])[C@]([H])(C4)[C@]3(O)CC[C@@H]2O
InChIInChI=1S/C18H23NO5/c1-19(22)8-7-17-14-10-3-4-12(23-2)15(14)24-16(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+,19-/m0/s1
InChIKeyPYNMSKPCGNAJAM-XLODQLQYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
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)
6alpha-Oxycodol N-oxide (CHEBI:228636) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(3S,4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinolin-3-ium-4a,7-diol
Manual XrefsDatabases
68003959ChemSpider