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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:54 UTC
Update Date2025-03-21 18:36:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110130
Frequency24.2
Structure
Chemical FormulaC14H14O3
Molecular Mass230.0943
SMILESCOc1ccc(C(C)C(=O)c2ccco2)cc1
InChI KeyHJFBOHSPQZADSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl alkyl ketones
  • furoic acid and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • furan
  • monocyclic benzene moiety
  • ether
  • furoic acid or derivatives
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound
  • aryl ketone