Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:17:35 UTC
Update Date2025-03-24 16:46:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00956743
Frequency1.5
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESC=C(O)c1ccccc1N
InChI KeyXEKQYNMFDWLOSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound