Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:33 UTC
Update Date2025-03-21 18:39:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125972
Frequency20.3
Structure
Chemical FormulaC9H13NO2
Molecular Mass167.0946
SMILESCC(=O)c1ccc(CN(C)C)o1
InChI KeyHLBAQLQJUWXIFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furoic acid and derivatives
Direct Parent furoic acid and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aralkylamines
  • aryl alkyl ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • Substituents
  • furoic acid or derivatives
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • tertiary aliphatic amine
  • aralkylamine
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • aryl ketone