Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:04:46 UTC
Update Date2025-03-24 20:35:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01501028
Frequency0.9
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESCC1OC(O)C(=O)C=C1O
InChI KeyXUFFNJBRNZZKKE-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
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
  • Substituents
  • carbonyl group
  • dihydropyranone
  • cyclic ketone
  • ketone
  • oxacycle
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • organooxygen compound