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CHEBI:168288 - Ethyl 2-benzylacetoacetate

ChEBI IDCHEBI:168288
ChEBI NameEthyl 2-benzylacetoacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O3
Net Charge0
Average Mass220.268
Monoisotopic Mass220.10994
SMILESCCOC(=O)C(Cc1ccccc1)C(C)=O
InChIInChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChIKeyXDWQYMXQMNUWID-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ethyl 2-benzylacetoacetate (CHEBI:168288) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
ethyl 2-benzyl-3-oxobutanoate
Manual XrefsDatabases
HMDB0040424HMDB
216124ChemSpider
Registry NumbersSources
CAS:620-79-1ChemIDplus