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CHEBI:188760 - Diethyl (1-ethoxy-3-ethyl-2-oxoheptyl)malonate

ChEBI IDCHEBI:188760
ChEBI NameDiethyl (1-ethoxy-3-ethyl-2-oxoheptyl)malonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O6
Net Charge0
Average Mass344.448
Monoisotopic Mass344.21989
SMILESCCCCC(CC)C(=O)C(OCC)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C18H32O6/c1-6-11-12-13(7-2)15(19)16(22-8-3)14(17(20)23-9-4)18(21)24-10-5/h13-14,16H,6-12H2,1-5H3
InChIKeyVWLJMBDTFFGPSV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Diethyl (1-ethoxy-3-ethyl-2-oxoheptyl)malonate (CHEBI:188760) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
diethyl 2-(1-ethoxy-3-ethyl-2-oxoheptyl)propanedioate
Manual XrefsDatabases
24603671ChemSpider