Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:04 UTC
Update Date2025-03-25 00:59:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237973
Frequency0.5
Structure
Chemical FormulaC10H16O6
Molecular Mass232.0947
SMILESO=C(O)CC1CCC(O)CC1(O)CC(=O)O
InChI KeyREFCGPNQLKMISD-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
  • carboxylic acids
  • cyclic alcohols and derivatives
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • tertiary alcohol
  • organic oxide
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative