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CHEBI:170038 - Norbutorphanol

ChEBI IDCHEBI:170038
ChEBI NameNorbutorphanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO2
Net Charge0
Average Mass259.349
Monoisotopic Mass259.15723
SMILES[H][C@@]12Cc3ccc(O)cc3[C@]3(CCCC[C@]31O)CCN2
InChIInChI=1S/C16H21NO2/c18-12-4-3-11-9-14-16(19)6-2-1-5-15(16,7-8-17-14)13(11)10-12/h3-4,10,14,17-19H,1-2,5-9H2/t14-,15+,16-/m1/s1
InChIKeyGJOVVPXDEXUSTC-OWCLPIDISA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
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)
Norbutorphanol (CHEBI:170038) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1S,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
Manual XrefsDatabases
20130087ChemSpider
HMDB0041954HMDB
Registry NumbersSources
CAS:3792-68-5ChemIDplus