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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:27 UTC
Update Date2025-03-25 00:53:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199984
Frequency0.5
Structure
Chemical FormulaC13H13NO3
Molecular Mass231.0895
SMILESN#Cc1ccc2c(c1)COC(CCC(=O)O)C2
InChI KeyFESMPBKEJXIMQY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • nitriles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • nitrile
  • carboxylic acid
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carbonitrile
  • organooxygen compound