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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:41 UTC
Update Date2025-03-25 00:57:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225934
Frequency0.5
Structure
Chemical FormulaC13H17NO4
Molecular Mass251.1158
SMILESCC(=O)NCCC1Oc2ccccc2C(O)C1O
InChI KeyMPIBZPNROPODEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • acetamides
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • 1,2-diol
  • alcohol
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound