Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:27 UTC
Update Date2025-03-25 00:50:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179544
Frequency0.5
Structure
Chemical FormulaC13H16N2O2
Molecular Mass232.1212
SMILESOc1ccc2[nH]cc(CN3CCOCC3)c2c1
InChI KeyUKAUWTDXHUTNFI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • morpholines
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
  • trialkylamines
  • Substituents
  • ether
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • dialkyl ether
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • oxazinane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound