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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:15 UTC
Update Date2025-03-21 18:37:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115792
Frequency22.7
Structure
Chemical FormulaC9H18O5
Molecular Mass206.1154
SMILESCC1OC(CO)C(O)C(O)C(O)C1C
InChI KeyRXHHBRNZDXHFRU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxepane
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound