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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1-(4-benzyl-1H-pyrrol-3-yl)ethanone

ChEBI ID	CHEBI:206176

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C13H13NO

Net Charge

Average Mass

199.253

Monoisotopic Mass

199.09971

InChI

InChI=1S/C13H13NO/c1-10(15)13-8-7-12(14-13)9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H3

InChIKey

HJJSJGKQRLQTQK-UHFFFAOYSA-N

SMILES

O=C(C=1NC(CC2=CC=CC=C2)=CC1)C

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	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