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CHEBI:168575 - L-Menthyl acetoacetate

ChEBI IDCHEBI:168575
ChEBI NameL-Menthyl acetoacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O3
Net Charge0
Average Mass240.343
Monoisotopic Mass240.17254
SMILESCC(=O)CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=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
InChIKeyQSVQIPXQOCAWHP-UHTWSYAYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
39229ChemSpider
HMDB0032369HMDB