Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:23 UTC
Update Date2025-03-25 01:02:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254752
Frequency0.5
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESCC12C=CC(O)C(O1)O2
InChI KeyQBUIVONPRGAAAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dioxetanes
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dioxetane
  • organooxygen compound