Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:59 UTC
Update Date2025-03-25 00:52:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194322
Frequency0.5
Structure
Chemical FormulaC10H13NO
Molecular Mass163.0997
SMILESCN1C=C2C=CC3CC2(CC1)O3
InChI KeyRRAAAAOKDWHQPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • enamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • pyrans
  • trialkylamines
  • Substituents
  • ether
  • azacycle
  • tertiary aliphatic amine
  • tetrahydropyridine
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • pyran
  • oxetane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • enamine