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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:29 UTC
Update Date2025-03-21 18:35:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104176
Frequency26.0
Structure
Chemical FormulaC10H11NO3
Molecular Mass193.0739
SMILESO=C(O)C1NCCc2cc(O)ccc21
InChI KeyWQTOOVAQGWLHKC-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
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • alpha-amino acid
  • organopnictogen compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine