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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:51 UTC
Update Date2025-03-21 18:03:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042957
Frequency79.3
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESOCC(O)Cc1c[nH]c2ccc(O)cc12
InChI KeyLBKNTNRKJUQAJT-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • pyrroles
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • indole
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound
  • 1,2-diol