2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione (CHEBI:171929)

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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	2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione

ChEBI ID	CHEBI:171929

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H18O4

Net Charge

Average Mass

238.283

Monoisotopic Mass

238.12051

InChI

InChI=1S/C13H18O4/c1-6-7(14)8-9(15)12(2,3)11(17)13(4,5)10(8)16/h8H,6H2,1-5H3

InChIKey

IZVWNTVILPFEDY-UHFFFAOYSA-N

SMILES

O=C1C(C(=O)C(C(=O)C1(C)C)C(=O)CC)(C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). See: MetaboLights Study

ChEBI Ontology
Outgoing	2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione (CHEBI:171929) is a monoterpenoid (CHEBI:25409)

IUPAC Name

2,2,4,4-tetramethyl-6-propanoylcyclohexane-1,3,5-trione