Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:20 UTC
Update Date2025-03-21 18:34:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098888
Frequency27.8
Structure
Chemical FormulaC14H21NO
Molecular Mass219.1623
SMILESCOc1ccc(C2(CN)CCCCC2)cc1
InChI KeyRYTWCTSDMHVTPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • Substituents
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound