Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:55 UTC
Update Date2025-03-21 18:28:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073952
Frequency40.2
Structure
Chemical FormulaC8H12O6
Molecular Mass204.0634
SMILESO=CC1(C(=O)O)CC(O)C(O)C(O)C1
InChI KeyRHTZEDOJLVBLGY-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
  • aldehydes
  • carboxylic acids
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • aldehyde
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative