Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:03 UTC
Update Date2025-03-25 00:57:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226719
Frequency0.5
Structure
Chemical FormulaC13H17NO3
Molecular Mass235.1208
SMILESCC(O)C(O)C(O)Cn1ccc2ccccc21
InChI KeyFLHIYVFFSRXHPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass n-alkylindoles
Direct Parent n-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • substituted pyrroles
  • Substituents
  • alcohol
  • n-alkylindole
  • azacycle
  • indole
  • heteroaromatic compound
  • substituted pyrrole
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound