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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:17 UTC
Update Date2025-03-25 00:49:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174530
Frequency0.5
Structure
Chemical FormulaC15H16O3
Molecular Mass244.1099
SMILESCCCCC(=O)c1ccc(-c2ccc(O)cc2)o1
InChI KeyAOLKRTNXOJRNSR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furoic acid and derivatives
Direct Parent furoic acid and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • monocyclic benzene moiety
  • furoic acid or derivatives
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone