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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:26 UTC
Update Date2025-03-25 00:48:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165752
Frequency0.5
Structure
Chemical FormulaC13H26O4
Molecular Mass246.1831
SMILESCC1C(C)C(C)C(O)(C(C)C)OC1C(O)CO
InChI KeyFHPDTSVLRQDACC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organooxygen compound
  • 1,2-diol