Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:45 UTC
Update Date2025-03-25 00:52:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196073
Frequency0.5
Structure
Chemical FormulaC6H12O4
Molecular Mass148.0736
SMILESCC1(C)OCC(C(O)O)O1
InChI KeyGHBSHFVQEABUJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • carbonyl hydrates
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • meta-dioxolane
  • carbonyl hydrate
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound