Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:09 UTC
Update Date2025-03-25 00:50:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183385
Frequency0.5
Structure
Chemical FormulaC12H14O
Molecular Mass174.1045
SMILESOC12CCCC1c1ccccc1C2
InChI KeyXJXFWDZMRMCUIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • alcohol
  • tertiary alcohol
  • organic oxygen compound
  • indane
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • cyclic alcohol
  • organooxygen compound