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CHEBI:67251 - β-damascenone

ChEBI IDCHEBI:67251
ChEBI Nameβ-damascenone
Stars
ASCII Namebeta-damascenone
DefinitionA cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group.
Last Modified23 October 2015
DownloadsMolfile

FormulaC13H18O
Net Charge0
Average Mass190.286
Monoisotopic Mass190.13577
SMILESC/C=C/C(=O)C1=C(C)C=CCC1(C)C
InChIInChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
InChIKeyPOIARNZEYGURDG-FNORWQNLSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Cirsium palustre (ncbitaxon:143190) root (BTO:0001188) PubMed (22474978)
Roles Classification

ChEBI Ontology
IUPAC Name 
(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Synonyms  Source
(E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-oneChemIDplus
(2E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-oneNIST Chemistry WebBook
damascenoneNIST Chemistry WebBook
β-(E)-damascenoneNIST Chemistry WebBook
trans-damascenoneNIST Chemistry WebBook
trans-β-damascenoneNIST Chemistry WebBook
Manual XrefsDatabases
DamascenoneWikipedia
Registry NumbersSources
Reaxys:2046080Reaxys
CAS:23726-93-4ChemIDplus
CAS:23726-93-4NIST Chemistry WebBook
Citations