Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:41:57 UTC
Update Date2025-03-24 22:19:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01158795
Frequency1.2
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESNc1cc(=O)cc(CO)o1
InChI KeySLHLFBUIGQZMES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent pyranones and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • vinylogous amides
  • Substituents
  • aromatic alcohol
  • alcohol
  • vinylogous amide
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • cyclic ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • pyranone
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound