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CHEBI:172382 - 5-Dihydrobenzofuranpyrovalerone

ChEBI IDCHEBI:172382
ChEBI Name5-Dihydrobenzofuranpyrovalerone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23NO2
Net Charge0
Average Mass273.376
Monoisotopic Mass273.17288
SMILESCCCC(C(=O)c1ccc2c(c1)CCO2)N1CCCC1
InChIInChI=1S/C17H23NO2/c1-2-5-15(18-9-3-4-10-18)17(19)14-6-7-16-13(12-14)8-11-20-16/h6-7,12,15H,2-5,8-11H2,1H3
InChIKeyCIGWUZUBQBQZAO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa;Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
ChEBI Ontology
Outgoing Relation(s)
5-Dihydrobenzofuranpyrovalerone (CHEBI:172382) is a butanone (CHEBI:22951)
IUPAC Name 
1-(2,3-dihydro-1-benzouran-5-yl)-2-pyrrolidin-1-ylpentan-1-one
Manual XrefsDatabases
58858892ChemSpider
Registry NumbersSources
CAS:2117405-32-8ChemIDplus