Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:36 UTC
Update Date2025-03-21 18:34:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102012
Frequency26.7
Structure
Chemical FormulaC9H13NO
Molecular Mass151.0997
SMILESNCCCOc1ccccc1
InChI KeyDXVQSHRBALIFBC-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
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound