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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:27 UTC
Update Date2025-03-21 18:32:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00089451
Frequency31.6
Structure
Chemical FormulaC12H15NO4
Molecular Mass237.1001
SMILESOc1ccc(CNC2C=CC(O)C2O)cc1O
InChI KeyHXPPBDWTBGEFQS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • 1,2-diol