Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:33 UTC
Update Date2025-03-25 00:57:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227811
Frequency0.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(=O)C1(C)OCCO1
InChI KeyJGWHXQZGGHZZDG-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
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • carbonyl group
  • ketone
  • oxacycle
  • organic oxide
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound