Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:38:38 UTC
Update Date2025-03-24 22:18:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01150506
Frequency1.2
Structure
Chemical FormulaC4H6O4
Molecular Mass118.0266
SMILESOCC12OCC(O1)O2
InChI KeyLKALNYHNAQCGBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolanes
Subclass 1,3-dioxolanes
Direct Parent 1,3-dioxolanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • dioxetanes
  • hydrocarbon derivatives
  • orthocarboxylic acid derivatives
  • oxacyclic compounds
  • Substituents
  • alcohol
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • organic oxygen compound
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • 1,3-dioxetane
  • organooxygen compound