Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:59:37 UTC
Update Date2025-03-21 23:02:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00626400
Frequency2.6
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESCNc1c(C)c(=O)c1=O
InChI KeyBBONDHQWTRXSMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • cyclic ketone
  • secondary aliphatic/aromatic amine
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound