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CHEBI:133207 - 1-acetylindole-3-carboxaldehyde

ChEBI IDCHEBI:133207
ChEBI Name1-acetylindole-3-carboxaldehyde
Stars
DefinitionAn N-acylindole that is N-acetylindole carrying an additional formyl substituent at position 3.
Last Modified3 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC11H9NO2
Net Charge0
Average Mass187.198
Monoisotopic Mass187.06333
SMILES[H]C(=O)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3
InChIKeyLCJLFGSKHBDOAY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum lycopersicum (ncbitaxon:4081)
fruit (BTO:0000486) MetaboLights (MTBLS110)
fruit (BTO:0000486) MetaboLights (MTBLS109)
fruit (BTO:0000486) MetaboLights (MTBLS108)
fruit (BTO:0000486) DOI (10.1007/s11306-014-0728-9)
fruit (BTO:0000486) MetaboLights (MTBLS107)
fruit (BTO:0000486) MetaboLights (MTBLS111)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1-acetylindole-3-carboxaldehyde (CHEBI:133207) has role plant metabolite (CHEBI:76924)
1-acetylindole-3-carboxaldehyde (CHEBI:133207) is a N-acylindole (CHEBI:75884)
1-acetylindole-3-carboxaldehyde (CHEBI:133207) is a arenecarbaldehyde (CHEBI:33855)
IUPAC Name 
1-acetyl-1H-indole-3-carbaldehyde
Synonyms  Source
N-acetylindole-3-carboxaldehydeChEBI
1-acetyl-3-formylindoleChEBI
Manual XrefsDatabases
81163ChemSpider
Registry NumbersSources
CAS:22948-94-3ChemIDplus