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CHEBI:177049 - Hydroxybutorphanol

ChEBI IDCHEBI:177049
ChEBI NameHydroxybutorphanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29NO3
Net Charge0
Average Mass343.467
Monoisotopic Mass343.21474
SMILES[H][C@@]12Cc3ccc(O)cc3[C@]3(CCCC[C@]31O)CCN2CC1CC(O)C1
InChIInChI=1S/C21H29NO3/c23-16-4-3-15-11-19-21(25)6-2-1-5-20(21,18(15)12-16)7-8-22(19)13-14-9-17(24)10-14/h3-4,12,14,17,19,23-25H,1-2,5-11,13H2/t14?,17?,19-,20+,21-/m1/s1
InChIKeyNCMXKIHJYUFTRL-UJKGXUCZSA-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)
Hydroxybutorphanol (CHEBI:177049) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1S,9R,10S)-17-[(3-hydroxycyclobutyl)methyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol