CHEBI:191568 - Hexyl phenylacetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hexyl phenylacetate
ChEBI ID CHEBI:191568
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H20O2
Net Charge 0
Average Mass 220.312
Monoisotopic Mass 220.14633
InChI InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey MTAHGWGAEGVCLS-UHFFFAOYSA-N
SMILES O(CCCCCC)C(=O)CC1=CC=CC=C1
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Hexyl phenylacetate (CHEBI:191568) is a benzenes (CHEBI:22712)
IUPAC Name
hexyl 2-phenylacetate
Manual Xrefs Databases
192373 ChemSpider
HMDB0037714 HMDB
View more database links
Registry Number Type Source
5421-17-0 CAS Registry Number ChemIDplus