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CHEBI:192110 - (E)-5,8-Megastigmadien-4-one

ChEBI IDCHEBI:192110
ChEBI Name(E)-5,8-Megastigmadien-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O
Net Charge0
Average Mass192.302
Monoisotopic Mass192.15142
SMILESC/C=C\CC1=C(C)C(=O)CCC1(C)C
InChIInChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5-
InChIKeyCVDHBGKYPTUEAA-WAYWQWQTSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
(E)-5,8-Megastigmadien-4-one (CHEBI:192110) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
3-[(Z)-but-2-enyl]-2,4,4-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
20058568ChemSpider
HMDB0034671HMDB
Registry NumbersSources
CAS:67401-25-6ChemIDplus