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CHEBI:16310 - sulcatone

ChEBI IDCHEBI:16310
ChEBI Namesulcatone
Stars
DefinitionA heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil.
Secondary ChEBI IDsCHEBI:9324, CHEBI:15134, CHEBI:26818
Last Modified4 September 2017
DownloadsMolfile

FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCC(=O)CCC=C(C)C
InChIInChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKeyUHEPJGULSIKKTP-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
6-methylhept-5-en-2-one
Synonyms  Source
SulcatoneKEGG COMPOUND
6-Methylhept-5-en-2-oneKEGG COMPOUND
6-Methyl-5-hepten-2-oneKEGG COMPOUND
6-methyl-5-hepten-2-oneChEBI
6-methylhept-5-en-2-oneChEBI
UniProt Name  Source
sulcatoneUniProt
Manual XrefsDatabases
C07287KEGG COMPOUND
HMDB0035915HMDB
C00011400KNApSAcK
Registry NumbersSources
Reaxys:1741705Reaxys
CAS:110-93-0KEGG COMPOUND
CAS:110-93-0ChemIDplus
CAS:110-93-0NIST Chemistry WebBook
Citations