Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:58 UTC
Update Date2025-03-21 18:40:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131734
Frequency19.2
Structure
Chemical FormulaC8H14O5
Molecular Mass190.0841
SMILESCOC(=O)C1(O)CCC(O)C(O)C1
InChI KeyYPINFRCXOVFBJM-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
  • carbonyl compounds
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxylic acid derivative
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative