Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:28 UTC
Update Date2025-03-25 00:45:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149870
Frequency0.5
Structure
Chemical FormulaC9H16O4
Molecular Mass188.1049
SMILESCCOC(=O)C1OC(C)(C)OC1C
InChI KeyAGTYUUPSDXGERO-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 compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • ketal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound