EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174138 - Piperonyl isobutyrate

ChEBI IDCHEBI:174138
ChEBI NamePiperonyl isobutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCC(C)C(=O)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
InChIKeyRQULTIASPCVEFO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Piperonyl isobutyrate (CHEBI:174138) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1,3-benzodioxol-5-ylmethyl 2-methylpropanoate
Manual XrefsDatabases
56342ChemSpider
HMDB0037130HMDB
Registry NumbersSources
CAS:5461-08-5ChemIDplus