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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:19 UTC
Update Date2025-03-21 18:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029704
Frequency125.7
Structure
Chemical FormulaC14H18N2O4
Molecular Mass278.1267
SMILESOCC1OC(NCc2c[nH]c3ccccc23)C(O)C1O
InChI KeyAKZFDVQLQTUXFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hemiaminals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • pyrroles
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • indole
  • monosaccharide
  • hemiaminal
  • saccharide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine