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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:40 UTC
Update Date2025-03-25 00:47:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161658
Frequency0.5
Structure
Chemical FormulaC9H11NO4
Molecular Mass197.0688
SMILESNCC(O)c1cc2c(cc1O)OCO2
InChI KeyRYZJOTOCDTWHOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • aromatic alcohols
  • benzenoids
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • benzodioxole