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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:47 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248874
Frequency0.5
Structure
Chemical FormulaC11H14O3
Molecular Mass194.0943
SMILESCOc1cc2c(cc1O)CCC2(C)O
InChI KeyLYFUYYDTAYSGGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • tertiary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • tertiary alcohol
  • organic oxygen compound
  • anisole
  • indane
  • hydrocarbon derivative
  • organooxygen compound