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CHEBI:228978 - 2,8-Dimethyl-5-acetyl-bicyclo[5,3,0] decadiene-1,8

Default Structure
ChEBI IDCHEBI:228978
ChEBI Name2,8-Dimethyl-5-acetyl-bicyclo[5,3,0] decadiene-1,8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O
Net Charge0
Average Mass204.313
Monoisotopic Mass204.15142
SMILESCC(=O)C1CCC(C)=C2CC=C(C)C2C1
InChIInChI=1S/C14H20O/c1-9-4-6-12(11(3)15)8-14-10(2)5-7-13(9)14/h5,12,14H,4,6-8H2,1-3H3
InChIKeyRLXMQOKUFPBVGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
2,8-Dimethyl-5-acetyl-bicyclo[5,3,0] decadiene-1,8 (CHEBI:228978) is a ketone (CHEBI:17087)
IUPAC Name 
1-(3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl)ethanone
Manual XrefsDatabases
4475846ChemSpider