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CHEBI:179835 - 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

ChEBI IDCHEBI:179835
ChEBI Name3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCC(=O)/C(C)=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
InChIKeyJRJBVWJSTHECJK-PKNBQFBNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CHEBI:179835) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Manual XrefsDatabases
HMDB0031738HMDB
4522510ChemSpider
Registry NumbersSources
CAS:127-51-5ChemIDplus