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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:02 UTC
Update Date2025-03-25 00:46:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155888
Frequency0.5
Structure
Chemical FormulaC11H11NO4
Molecular Mass221.0688
SMILESCC(=O)C1Cc2cc(O)c(O)cc2C(O)=N1
InChI KeyANHRHKYUSZHTRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydroisoquinolines
Subclass dihydroisoquinolines
Direct Parent dihydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • dihydroisoquinoline
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound