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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:08 UTC
Update Date2025-03-25 00:46:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153819
Frequency0.5
Structure
Chemical FormulaC12H22O4
Molecular Mass230.1518
SMILESCC(=O)CC1OC(C(O)O)C(C)C(C)C1C
InChI KeyXSKGYAPHHGCGRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl hydrates
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • carbonyl hydrate
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound