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CHEBI:180552 - 2-Phenylmalonaldehyde

ChEBI IDCHEBI:180552
ChEBI Name2-Phenylmalonaldehyde
Stars
Last Modified7 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O2
Net Charge0
Average Mass148.161
Monoisotopic Mass148.05243
SMILESO=CC(C=O)c1ccccc1
InChIInChI=1S/C9H8O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7,9H
InChIKeyPGTSKBVCLZBQFK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
2-Phenylmalonaldehyde (CHEBI:180552) is a phenylacetaldehydes (CHEBI:25973)
IUPAC Name 
2-phenylpropanedial
Manual XrefsDatabases
2905160ChemSpider