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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:33 UTC
Update Date2025-03-25 00:51:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188894
Frequency0.5
Structure
Chemical FormulaC14H25NO6
Molecular Mass303.1682
SMILESCC(O)CCCC=CC(O)=NC1CC(O)C(O)C(O)C1O
InChI KeyOTPOMQNUCVBJSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboximidic acids
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboximidic acid
  • cyclohexanol
  • cyclitol or derivatives
  • organic 1,3-dipolar compound
  • cyclic alcohol
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound