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CHEBI:174632 - 6-beta-Naltrexol

ChEBI IDCHEBI:174632
ChEBI Name6-beta-Naltrexol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO4
Net Charge0
Average Mass343.423
Monoisotopic Mass343.17836
SMILESOc1ccc2c3c1OC1C(O)CCC4(O)C(C2)N(CC2CC2)CCC314
InChIInChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2
InChIKeyJLVNEHKORQFVQJ-UHFFFAOYSA-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)
6-beta-Naltrexol (CHEBI:174632) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinoline-4a,7,9-triol
Manual XrefsDatabases
HMDB0060784HMDB
548113ChemSpider