L-Menthyl acetoacetate (CHEBI:168575)

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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	L-Menthyl acetoacetate

ChEBI ID	CHEBI:168575

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H24O3

Net Charge

Average Mass

240.343

Monoisotopic Mass

240.17254

InChI

InChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m0/s1

InChIKey

QSVQIPXQOCAWHP-UHTWSYAYSA-N

SMILES

O([C@@H]1[C@H](CC[C@@H](C1)C)C(C)C)C(=O)CC(=O)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	L-Menthyl acetoacetate (CHEBI:168575) is a p-menthane monoterpenoid (CHEBI:25186)

IUPAC Name

[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxobutanoate