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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:07 UTC
Update Date2025-03-21 18:37:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117929
Frequency22.2
Structure
Chemical FormulaC9H18O3
Molecular Mass174.1256
SMILESCC1CCC(C)(C(O)CO)OC1
InChI KeyCHJLEYDHMPQOIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound
  • 1,2-diol