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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:24 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179414
Frequency0.5
Structure
Chemical FormulaC12H12O3
Molecular Mass204.0786
SMILESCOc1ccc2c(c1)C1OC=CC1C2O
InChI KeyYUIAKRYCYKOOPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dihydrofurans
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • ether
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • indane
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • dihydrofuran