Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172107
Frequency0.5
Structure
Chemical FormulaC14H19NO3
Molecular Mass249.1365
SMILESCN1CCC23OC2C=CC2CC1C=CC(O)(O)C23
InChI KeyGIIPRRGWKXLLBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent trialkylamines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl hydrates
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • ether
  • carbonyl hydrate
  • azacycle
  • tertiary aliphatic amine
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound