Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:44 UTC
Update Date2025-03-25 00:54:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207500
Frequency0.5
Structure
Chemical FormulaC9H13NO2
Molecular Mass167.0946
SMILESNc1ccccc1OCCCO
InChI KeyHLAYFCOBZAWOII-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenoxy compounds
  • primary amines
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound