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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:18 UTC
Update Date2025-03-25 00:54:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206489
Frequency0.5
Structure
Chemical FormulaC14H16O4
Molecular Mass248.1049
SMILESC=CC(=O)CC(O)C=Cc1ccc(O)c(OC)c1
InChI KeyXAHZKAKHBCQCAG-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
  • acryloyl compounds
  • alkyl aryl ethers
  • anisoles
  • beta-hydroxy ketones
  • cinnamyl alcohols
  • enones
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • secondary alcohols
  • b'-hydroxy-alpha,beta-unsaturated ketones
    • Substituents
  • beta-hydroxy ketone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • b'-hydroxy-alpha,beta-unsaturated-ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cinnamyl alcohol
  • alkyl aryl ether
  • alpha,beta-unsaturated ketone
  • ketone
  • organic oxide
  • enone
  • alcohol
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • acryloyl-group
  • phenoxy compound
  • organooxygen compound