4-acetyl-2,3,4,5,5-pentamethyl-2-Cyclopenten-1-one (CHEBI:229431)

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CHEBI:229431 - 4-acetyl-2,3,4,5,5-pentamethyl-2-Cyclopenten-1-one

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ChEBI ID	CHEBI:229431
ChEBI Name	4-acetyl-2,3,4,5,5-pentamethyl-2-Cyclopenten-1-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H18O2
Net Charge	0
Average Mass	194.274
Monoisotopic Mass	194.13068
SMILES	CC(=O)C1(C)C(C)=C(C)C(=O)C1(C)C
InChI	InChI=1S/C12H18O2/c1-7-8(2)12(6,9(3)13)11(4,5)10(7)14/h1-6H3
InChIKey	XPYNAEMDBLPZGA-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryctolagus cuniculus (ncbitaxon:9986)	longissimus thoracis (BTO:0001651)	MetaboLights (MTBLS8958)

ChEBI Ontology

Outgoing Relation(s)
	4-acetyl-2,3,4,5,5-pentamethyl-2-Cyclopenten-1-one (CHEBI:229431) is a monoterpenoid (CHEBI:25409)

IUPAC Name
4-acetyl-2,3,4,5,5-pentamethylcyclopent-2-en-1-one

Manual Xrefs	Databases
454704	ChemSpider