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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:28 UTC
Update Date2025-03-25 00:46:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154591
Frequency0.5
Structure
Chemical FormulaC13H14O3
Molecular Mass218.0943
SMILESCOc1ccc(C2C=CC(=O)C2)cc1OC
InChI KeyFUZAEGFGFUROPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • cyclic ketone
  • alkyl aryl ether
  • ketone
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxide
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound