Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:09 UTC
Update Date2025-03-21 18:29:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00076926
Frequency38.2
Structure
Chemical FormulaC9H14O5
Molecular Mass202.0841
SMILESO=C(O)CC1CCC(O)CC1C(=O)O
InChI KeyAXFDNYBFABVNDD-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
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • organic oxide
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative