CHEBI:167767 - Piperonylonitrile

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ChEBI Name Piperonylonitrile
ChEBI ID CHEBI:167767
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H5NO2
Net Charge 0
Average Mass 147.133
Monoisotopic Mass 147.03203
InChI InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChIKey PKRWWZCDLJSJIF-UHFFFAOYSA-N
SMILES O1C2=C(C=CC(=C2)C#N)OC1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Piperonylonitrile (CHEBI:167767) is a benzodioxoles (CHEBI:38298)
IUPAC Name
1,3-benzodioxole-5-carbonitrile
Manual Xref Database
70512 ChemSpider
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Registry Number Type Source
4421-09-4 CAS Registry Number ChemIDplus