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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:20:06 UTC
Update Date2025-03-24 20:01:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01106080
Frequency1.2
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESNc1ccc(CC=O)cc1
InChI KeyOOVPKTABSPKFLL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetaldehydes
Direct Parent phenylacetaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
    • Substituents
  • carbonyl group
  • aldehyde
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • phenylacetaldehyde