EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189992 - 2-Phenylbutyrolactone

ChEBI IDCHEBI:189992
ChEBI Name2-Phenylbutyrolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O2
Net Charge0
Average Mass162.188
Monoisotopic Mass162.06808
SMILESO=C1OCCC1c1ccccc1
InChIInChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyQGHNDAKWOGAJHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
2-Phenylbutyrolactone (CHEBI:189992) is a γ-lactone (CHEBI:37581)
IUPAC Name 
3-phenyloxolan-2-one
Manual XrefsDatabases
21761ChemSpider
D78713KEGG DRUG
Registry NumbersSources
CAS:6836-98-2ChemIDplus