CHEBI:167767 - Piperonylonitrile

ChEBI IDCHEBI:167767
ChEBI NamePiperonylonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H5NO2
Net Charge0
Average Mass147.133
Monoisotopic Mass147.03203
SMILESN#Cc1ccc2c(c1)OCO2
InChIInChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChIKeyPKRWWZCDLJSJIF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Piperonylonitrile (CHEBI:167767) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1,3-benzodioxole-5-carbonitrile
Manual XrefsDatabases
70512ChemSpider
Registry NumbersSources
CAS:4421-09-4ChemIDplus