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CHEBI:185847 - 2-Methyl-1-phenyl-2-propanyl butyrate

ChEBI IDCHEBI:185847
ChEBI Name2-Methyl-1-phenyl-2-propanyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O2
Net Charge0
Average Mass220.312
Monoisotopic Mass220.14633
SMILESCCCC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeySHSGYHAHMQLYRB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2-Methyl-1-phenyl-2-propanyl butyrate (CHEBI:185847) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
(2-methyl-1-phenylpropan-2-yl) butanoate
Manual XrefsDatabases
23294ChemSpider
HMDB0040226HMDB
Registry NumbersSources
CAS:10094-34-5ChemIDplus