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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:42 UTC
Update Date2025-03-25 00:46:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155142
Frequency0.5
Structure
Chemical FormulaC10H13NO3
Molecular Mass195.0895
SMILESCc1cc(CO)c(CN)c(O)c1C=O
InChI KeyLRCBMLFNUVJZNY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent hydroxybenzaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • benzoyl derivatives
  • benzyl alcohols
  • hydrocarbon derivatives
  • meta cresols
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • toluenes
  • vinylogous acids
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • benzoyl
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • m-cresol
  • benzyl alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • hydroxybenzaldehyde
  • toluene