Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:45 UTC
Update Date2025-03-25 00:51:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187072
Frequency0.5
Structure
Chemical FormulaC10H13NO2
Molecular Mass179.0946
SMILESCC(C(=O)CN)c1cccc(O)c1
InChI KeyZPGMDKVPKZCFKV-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
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound