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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:04 UTC
Update Date2025-03-21 18:39:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124779
Frequency20.6
Structure
Chemical FormulaC9H8O2
Molecular Mass148.0524
SMILESCc1ccc2c(c1)OCC2=O
InChI KeyVHAUANQYMZUJPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofuranones
Direct Parent benzofuranones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • coumarans
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • ether
  • aryl alkyl ketone
  • benzofuranone
  • alkyl aryl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound
  • aryl ketone