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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:55 UTC
Update Date2025-03-25 01:01:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249190
Frequency0.5
Structure
Chemical FormulaC14H18O3
Molecular Mass234.1256
SMILESCOc1cc(C(=O)CCC=C(C)C)ccc1O
InChI KeyMTCNLUXWWNQCPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxide
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone