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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:16 UTC
Update Date2025-03-25 00:50:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183649
Frequency0.5
Structure
Chemical FormulaC13H13NO5
Molecular Mass263.0794
SMILESO=C1NC(O)C2COC(c3ccc4c(c3)OCO4)C12
InChI KeyBUYLCSZCLSBXRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkanolamines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • ether
  • lactam
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • alkanolamine
  • benzodioxole
  • azacycle
  • tetrahydrofuran
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound