EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203992 - (3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one

ChEBI IDCHEBI:203992
ChEBI Name(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O3
Net Charge0
Average Mass274.360
Monoisotopic Mass274.15689
SMILESCC(=O)O[C@H]1C=CC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C
InChIInChI=1S/C17H22O3/c1-10(2)14-9-17(5)11(3)16(20-12(4)18)7-6-13(17)8-15(14)19/h6-8,11,16H,9H2,1-5H3/t11-,16-,17+/m0/s1
InChIKeyFJZBAGIMAUDSAO-MZPVMMEZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (17253863)
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one (CHEBI:203992) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2S,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,8-dihydro-1H-naphthalen-2-yl] acetate
Manual XrefsDatabases
17262762ChemSpider