EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206176 - 1-(4-benzyl-1H-pyrrol-3-yl)ethanone

ChEBI IDCHEBI:206176
ChEBI Name1-(4-benzyl-1H-pyrrol-3-yl)ethanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13NO
Net Charge0
Average Mass199.253
Monoisotopic Mass199.09971
SMILESCC(=O)c1ccc(Cc2ccccc2)n1
InChIInChI=1S/C13H13NO/c1-10(15)13-8-7-12(14-13)9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H3
InChIKeyHJJSJGKQRLQTQK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27936301)
ChEBI Ontology
Outgoing Relation(s)
1-(4-benzyl-1H-pyrrol-3-yl)ethanone (CHEBI:206176) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-(5-benzyl-1H-pyrrol-2-yl)ethanone
Manual XrefsDatabases
61360293ChemSpider