Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:52 UTC
Update Date2025-03-25 00:56:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217210
Frequency0.5
Structure
Chemical FormulaC8H12O3
Molecular Mass156.0786
SMILESCC(CO)C(O)c1ccco1
InChI KeyCLGSHDWHQHEAIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound