CHEBI:171731 - Phenethyl decanoate

ChEBI IDCHEBI:171731
ChEBI NamePhenethyl decanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O2
Net Charge0
Average Mass276.420
Monoisotopic Mass276.20893
SMILESCCCCCCCCCC(=O)OCCc1ccccc1
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
InChIKeyDDMQLUJPAGWJOB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Phenethyl decanoate (CHEBI:171731) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-phenylethyl decanoate
Manual XrefsDatabases
101044ChemSpider
HMDB0032464HMDB
Registry NumbersSources
CAS:61810-55-7ChemIDplus