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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:26 UTC
Update Date2025-03-21 18:40:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130498
Frequency19.4
Structure
Chemical FormulaC12H16O4
Molecular Mass224.1049
SMILESCOc1cc(CC(CO)C(C)=O)ccc1O
InChI KeyZQZUVPNRPUVPPZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • primary alcohol
  • organooxygen compound