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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:04 UTC
Update Date2025-03-25 00:58:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233440
Frequency0.5
Structure
Chemical FormulaC13H18O4
Molecular Mass238.1205
SMILESCOc1cc(O)c(C(=O)CC(C)C)c(OC)c1
InChI KeyZJKLEVUMLVFQRG-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • methoxyphenol
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • dimethoxybenzene
  • organic oxide
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • m-dimethoxybenzene
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone