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CHEBI:229198 - Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester

ChEBI IDCHEBI:229198
ChEBI NamePropanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24O3
Net Charge0
Average Mass216.321
Monoisotopic Mass216.17254
SMILESCCCC(O)C(CC)COC(=O)C(C)C
InChIInChI=1S/C12H24O3/c1-5-7-11(13)10(6-2)8-15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyQQRIGCXMIPFTKR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester (CHEBI:229198) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
(2-ethyl-3-hydroxyhexyl) 2-methylpropanoate
Manual XrefsDatabases
455811ChemSpider