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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:43 UTC
Update Date2025-03-25 01:01:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246466
Frequency0.5
Structure
Chemical FormulaC13H16O3
Molecular Mass220.1099
SMILESCCC1(C)Oc2c(cc(O)c(C)c2C)C1=O
InChI KeyPWRKUGCMKFWRKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofuranones
Direct Parent benzofuranones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • coumarans
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • ether
  • aryl alkyl ketone
  • benzofuranone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound
  • aryl ketone