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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:21 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158786
Frequency0.5
Structure
Chemical FormulaC14H16N2O4
Molecular Mass276.111
SMILESOc1ccc2[nH]cc(CNC3OC=CC(O)C3O)c2c1
InChI KeyOTGBXLUFEFSSOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • indole
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • 1,2-diol