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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:04 UTC
Update Date2025-03-25 00:45:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02148931
Frequency0.5
Structure
Chemical FormulaC10H18O4
Molecular Mass202.1205
SMILESCC(C)C1(CC(=O)O)COC(C)(C)O1
InChI KeyOMFNVUYDEFTEIT-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 acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound