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CHEBI:229355 - Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester

ChEBI IDCHEBI:229355
ChEBI NamePropanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24O3
Net Charge0
Average Mass216.321
Monoisotopic Mass216.17254
SMILESCC(C)C(=O)OCC(C)(C)C(O)C(C)C
InChIInChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
InChIKeyDAFHKNAQFPVRKR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
ChEBI Ontology
Outgoing Relation(s)
Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester (CHEBI:229355) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
Manual XrefsDatabases
6245ChemSpider