Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:45 UTC
Update Date2025-03-21 18:02:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00037996
Frequency92.3
Structure
Chemical FormulaC14H20N2O2
Molecular Mass248.1525
SMILESCC(C)NCC(O)COc1ccc2cc[nH]c2c1
InChI KeyQTNJFQNLVTVAQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenol ethers
  • pyrroles
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • ether
  • azacycle
  • indole
  • heteroaromatic compound
  • alkyl aryl ether
  • secondary amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine