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CHEBI:182980 - Theaspirone A

ChEBI IDCHEBI:182980
ChEBI NameTheaspirone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O2
Net Charge0
Average Mass208.301
Monoisotopic Mass208.14633
SMILESCC1=CC(=O)CC(C)(C)C12CCC(C)O2
InChIInChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3
InChIKeyAXQMCYYCOKLZPP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
ChEBI Ontology
Outgoing Relation(s)
Theaspirone A (CHEBI:182980) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
Manual XrefsDatabases
4479542ChemSpider
HMDB0035228HMDB