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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:04 UTC
Update Date2025-03-25 00:50:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180949
Frequency0.5
Structure
Chemical FormulaC13H15NO5
Molecular Mass265.095
SMILESO=C(O)CCC1N=C(O)C(c2ccc(O)cc2)C1O
InChI KeyGIMPRCNIXHITPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpyrroline
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound