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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:22 UTC
Update Date2025-03-25 00:50:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179363
Frequency0.5
Structure
Chemical FormulaC14H18O2
Molecular Mass218.1307
SMILESCOc1ccc2c(c1)CCC21CCC(C)O1
InChI KeyPQKGGFBDZMBUBY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • ether
  • tetrahydrofuran
  • alkyl aryl ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • indane
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound