Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:50 UTC
Update Date2025-03-25 00:58:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230603
Frequency0.5
Structure
Chemical FormulaC10H13NO2
Molecular Mass179.0946
SMILESCNC(=O)COc1ccc(C)cc1
InChI KeyGVRLUVITUZCBGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
  • toluenes
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • toluene
  • organooxygen compound