EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170054 - 2-(4-Methoxybenzylidene)quinuclidin-3-one

ChEBI IDCHEBI:170054
ChEBI Name2-(4-Methoxybenzylidene)quinuclidin-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17NO2
Net Charge0
Average Mass243.306
Monoisotopic Mass243.12593
SMILESCOc1ccc(/C=C2\C(=O)C3CCN2CC3)cc1
InChIInChI=1S/C15H17NO2/c1-18-13-4-2-11(3-5-13)10-14-15(17)12-6-8-16(14)9-7-12/h2-5,10,12H,6-9H2,1H3/b14-10+
InChIKeyDGCCLZXEXPYXMT-GXDHUFHOSA-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]
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
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]
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
ChEBI Ontology
Outgoing Relation(s)
2-(4-Methoxybenzylidene)quinuclidin-3-one (CHEBI:170054) is a cyclic ketone (CHEBI:3992)
2-(4-Methoxybenzylidene)quinuclidin-3-one (CHEBI:170054) is a quinuclidines (CHEBI:26518)
IUPAC Name 
(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Manual XrefsDatabases
620593ChemSpider