EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H5NO2 |
| Net Charge | 0 |
| Average Mass | 147.133 |
| Monoisotopic Mass | 147.03203 |
| SMILES | N#Cc1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2 |
| InChIKey | PKRWWZCDLJSJIF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 |