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CHEBI:179836 - delta-Methylionone

ChEBI IDCHEBI:179836
ChEBI Namedelta-Methylionone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCC(=O)/C(C)=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+
InChIKeyNSSHGPBKKVJJMM-PKNBQFBNSA-N
ChEBI Ontology
Outgoing Relation(s)
delta-Methylionone (CHEBI:179836) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Manual XrefsDatabases
4522526ChemSpider
HMDB0031737HMDB
Registry NumbersSources
CAS:79-89-0ChemIDplus