Ilanepyrrolal (CHEBI:198532)

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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	Ilanepyrrolal

ChEBI ID	CHEBI:198532

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H15NO3

Net Charge

Average Mass

245.278

Monoisotopic Mass

245.10519

InChI

InChI=1S/C14H15NO3/c16-9-12-3-4-13(15-12)10-18-8-7-11-1-5-14(17)6-2-11/h1-6,9,15,17H,7-8,10H2

InChIKey

SHFGSMGOMKVCFE-UHFFFAOYSA-N

SMILES

O=CC=1NC(COCCC2=CC=C(O)C=C2)=CC1

Metabolite of Species	Details
Annulohypoxylon ilanense (NCBI:txid326620)	See: PubMed

ChEBI Ontology
Outgoing	Ilanepyrrolal (CHEBI:198532) is a alcohol (CHEBI:30879) Ilanepyrrolal (CHEBI:198532) is a phenols (CHEBI:33853)

IUPAC Name

5-[2-(4-hydroxyphenyl)ethoxymethyl]-1H-pyrrole-2-carbaldehyde