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CHEBI:167999 - Vulgarone A

ChEBI IDCHEBI:167999
ChEBI NameVulgarone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILESCC1=CC2C3C(=O)C1C3(C)CCCC2(C)C
InChIInChI=1S/C15H22O/c1-9-8-10-12-13(16)11(9)15(12,4)7-5-6-14(10,2)3/h8,10-12H,5-7H2,1-4H3
InChIKeyKKQDNHZABGRCAS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Vulgarone A (CHEBI:167999) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
2,6,6,9-tetramethyltricyclo[5.4.0.02,10]undec-8-en-11-one
Manual XrefsDatabases
35014227ChemSpider
HMDB0036733HMDB