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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:41 UTC
Update Date2025-03-25 00:50:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182377
Frequency0.5
Structure
Chemical FormulaC15H14O3
Molecular Mass242.0943
SMILESOC1c2ccccc2C(Oc2ccccc2)C1O
InChI KeyNTSPXGHROAXLCG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • organic oxygen compound
  • indane
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound
  • 1,2-diol