Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:05:32 UTC
Update Date2025-03-24 19:53:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01070228
Frequency1.3
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESO=C1C=COC(CO)C1O
InChI KeyDRFLVTOPHKTQAY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent dihydropyranones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • vinylogous esters
  • Substituents
  • alcohol
  • carbonyl group
  • dihydropyranone
  • vinylogous ester
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound