Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:42 UTC
Update Date2025-03-21 18:34:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102265
Frequency26.6
Structure
Chemical FormulaC11H13NO4
Molecular Mass223.0845
SMILESO=C(O)CC1CCc2cc(O)c(O)cc2N1
InChI KeyJXXVYICAMNLHOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass hydroquinolines
Direct Parent hydroquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alkylarylamines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • carboxylic acid derivative
  • secondary aliphatic/aromatic amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tetrahydroquinoline
  • amine
  • organooxygen compound