CHEBI:36812 - valerophenone

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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.
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Formula C11H14O
Net Charge 0
Average Mass 162.22826
Monoisotopic Mass 162.10447
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.
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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 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22822671 PubMed citation Europe PMC
Last Modified
17 June 2014