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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:31 UTC
Update Date2025-03-25 01:00:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246022
Frequency0.5
Structure
Chemical FormulaC11H13NO5
Molecular Mass239.0794
SMILESCC1c2cc(O)c(O)cc2CC(C(=O)O)N1O
InChI KeyYEIGWDRNUFBBDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • n-organohydroxylamine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound