Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:58 UTC
Update Date2025-03-25 01:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251627
Frequency0.5
Structure
Chemical FormulaC7H10O5
Molecular Mass174.0528
SMILESO=CC1(C(=O)O)CC(O)C(O)C1
InChI KeyHUNTWVVBNYLTEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclopentanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • aldehydes
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • aldehyde
  • cyclic alcohol
  • carboxylic acid derivative
  • cyclopentanol
  • organic oxide
  • monocarboxylic acid or derivatives
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol