Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:58 UTC
Update Date2025-03-25 00:59:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235555
Frequency0.5
Structure
Chemical FormulaC13H17NO3
Molecular Mass235.1208
SMILESOCCOCCOCc1c[nH]c2ccccc12
InChI KeyBVADROVYLWJHFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • alcohol
  • ether
  • azacycle
  • indole
  • heteroaromatic compound
  • dialkyl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound