Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:01 UTC
Update Date2025-03-21 18:29:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00076601
Frequency38.4
Structure
Chemical FormulaC6H12O4
Molecular Mass148.0736
SMILESOCC1CC(O)C(O)CO1
InChI KeyPOHLHDSBJAEFFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound