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CHEBI:190533 - 6-Alpha Naloxol

ChEBI IDCHEBI:190533
ChEBI Name6-Alpha Naloxol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23NO4
Net Charge0
Average Mass329.396
Monoisotopic Mass329.16271
SMILES[H][C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC=C)[C@]([H])(C4)[C@]3(O)CC[C@@H]2O
InChIInChI=1S/C19H23NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,13-14,17,21-23H,1,5-10H2/t13-,14+,17-,18-,19+/m0/s1
InChIKeyHMWHERQFMBEHNG-AQQQZIQISA-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)
6-Alpha Naloxol (CHEBI:190533) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4R,4aS,7S,7aR,12bS)-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinoline-4a,7,9-triol
Manual XrefsDatabases
4590928ChemSpider
Registry NumbersSources
CAS:20410-95-1ChemIDplus