(3S)-3-acetoxyeremophil-7(11),9(10)-dien-8-one (CHEBI:224323)

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CHEBI:224323 - (3S)-3-acetoxyeremophil-7(11),9(10)-dien-8-one

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ChEBI ID	CHEBI:224323
ChEBI Name	(3S)-3-acetoxyeremophil-7(11),9(10)-dien-8-one
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Submitter	MetaboLights
Downloads	Molfile

Formula	C17H24O3
Net Charge	0
Average Mass	276.376
Monoisotopic Mass	276.17254
SMILES	CC(=O)O[C@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C
InChI	InChI=1S/C17H24O3/c1-10(2)14-9-17(5)11(3)16(20-12(4)18)7-6-13(17)8-15(14)19/h8,11,16H,6-7,9H2,1-5H3/t11-,16-,17+/m0/s1
InChIKey	RIMSRWLZAHVEPH-MZPVMMEZSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (17253863)

ChEBI Ontology

Outgoing Relation(s)
	(3S)-3-acetoxyeremophil-7(11),9(10)-dien-8-one (CHEBI:224323) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
[(1R,2S,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] acetate

Manual Xrefs	Databases
21377612	ChemSpider