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CHEBI:174903 - beta-oxymorphol

ChEBI IDCHEBI:174903
ChEBI Namebeta-oxymorphol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO4
Net Charge0
Average Mass303.358
Monoisotopic Mass303.14706
SMILES[H][C@@]12Oc3c(O)ccc4c3[C@@]13CCN(C)[C@]([H])(C4)[C@]3(O)CC[C@H]2O
InChIInChI=1S/C17H21NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,11-12,15,19-21H,4-8H2,1H3/t11-,12-,15+,16+,17-/m1/s1
InChIKeyAABLHGPVOULICI-LQPBRMSDSA-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)
beta-oxymorphol (CHEBI:174903) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4R,4aS,7R,7aR,12bS)-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinoline-4a,7,9-triol
Manual XrefsDatabases
10485439ChemSpider
HMDB0061076HMDB
Registry NumbersSources
CAS:54934-75-7ChemIDplus