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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:28 UTC
Update Date2025-03-25 00:56:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220941
Frequency0.5
Structure
Chemical FormulaC13H14O4
Molecular Mass234.0892
SMILESO=C1CCC(CC(=O)c2ccc(O)cc2)CO1
InChI KeyPVFWXFJVDHXYRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboxylic acid esters
  • delta valerolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • delta valerolactone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone