Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:25:31 UTC
Update Date2025-03-24 20:19:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01408146
Frequency0.9
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESO=CC1(O)CCCCC1O
InChI KeyPFEGFQOIUVWRIW-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
  • 1,2-diols
  • aldehydes
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • cyclohexanol
  • aldehyde
  • cyclic alcohol
  • tertiary alcohol
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol