Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:56:08 UTC
Update Date2025-03-24 14:39:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00904998
Frequency1.6
Structure
Chemical FormulaC7H7NO2
Molecular Mass137.0477
SMILESNc1ccc(C=O)c(O)c1
InChI KeyPHQPPUMEXCUXDN-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-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • vinylogous acids
  • Substituents
  • monocyclic benzene moiety
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • hydroxybenzaldehyde
  • amine