Epiacoronene (CHEBI:196144)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Epiacoronene

ChEBI ID	CHEBI:196144

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O2

Net Charge

Average Mass

234.339

Monoisotopic Mass

234.16198

InChI

InChI=1S/C15H22O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h5,9,11,14H,6-8H2,1-4H3/t11-,14+,15-/m0/s1

InChIKey

SXHQJMKFQDMBIW-GLQYFDAESA-N

SMILES

O=C1[C@H]([C@]2([C@H](C1)C)CC(=O)C(=CC2)C)C(C)C

ChEBI Ontology
Outgoing	Epiacoronene (CHEBI:196144) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione