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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:43 UTC
Update Date2025-03-25 00:45:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150470
Frequency0.5
Structure
Chemical FormulaC16H16O3
Molecular Mass256.1099
SMILESOc1ccc(CC2c3ccc(O)cc3CC2O)cc1
InChI KeyYQIJPBKJFAPFJT-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
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • organic oxygen compound
  • indane
  • secondary alcohol
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenol
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • organooxygen compound