CHEBI:36812 - valerophenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name valerophenone
ChEBI ID CHEBI:36812
Definition An aromatic ketone that consists of benzene substituted by a pentanoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C11H14O
Net Charge 0
Average Mass 162.22826
Monoisotopic Mass 162.104
InChI InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XKGLSKVNOSHTAD-UHFFFAOYSA-N
SMILES CCCCC(=O)c1ccccc1
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing valerophenone (CHEBI:36812) has role plant metabolite (CHEBI:76924)
valerophenone (CHEBI:36812) has role volatile oil component (CHEBI:27311)
valerophenone (CHEBI:36812) is a aromatic ketone (CHEBI:76224)
Incoming 5-methoxyvalerophenone (CHEBI:36814) has functional parent valerophenone (CHEBI:36812)
IUPAC Name
1-phenylpentan-1-one
Synonyms Sources
1-phenyl-1-pentanone ChemIDplus
butyl phenyl ketone NIST Chemistry WebBook
pentanophenone NIST Chemistry WebBook
valerophenone ChemIDplus
Manual Xrefs Databases
HMDB0031208 HMDB
Valerophenone Wikipedia
View more database links
Registry Numbers Types Sources
1009-14-9 CAS Registry Number ChemIDplus
1009-14-9 CAS Registry Number NIST Chemistry WebBook
1907717 Beilstein Registry Number Beilstein
1907717 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22822671 PubMed citation Europe PMC
Last Modified
17 June 2014