CHEBI:198055 - Papupyrrolal

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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 Papupyrrolal
ChEBI ID CHEBI:198055
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H17NO3
Net Charge 0
Average Mass 259.305
Monoisotopic Mass 259.12084
InChI InChI=1S/C15H17NO3/c1-18-15-6-2-12(3-7-15)8-9-19-11-14-5-4-13(10-17)16-14/h2-7,10,16H,8-9,11H2,1H3
InChIKey WIDQDVZZRNCKCT-UHFFFAOYSA-N
SMILES O=CC=1NC(COCCC2=CC=C(OC)C=C2)=CC1
Metabolite of Species Details
Xylaria (NCBI:txid37991) See: DOI
ChEBI Ontology
Outgoing Papupyrrolal (CHEBI:198055) is a alcohol (CHEBI:30879)
Papupyrrolal (CHEBI:198055) is a phenols (CHEBI:33853)
IUPAC Name
5-[2-(4-methoxyphenyl)ethoxymethyl]-1H-pyrrole-2-carbaldehyde
Manual Xref Database
78435564 ChemSpider
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