Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:57 UTC
Update Date2025-03-21 18:37:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117524
Frequency22.3
Structure
Chemical FormulaC7H7NO3
Molecular Mass153.0426
SMILESOC(O)=Nc1ccccc1O
InChI KeyPHLQAPNMIMVEKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound