Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:50 UTC
Update Date2025-03-25 00:52:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196254
Frequency0.5
Structure
Chemical FormulaC11H16O4
Molecular Mass212.1049
SMILESCC1=C(CCC(=O)O)C(CC(=O)O)CC1
InChI KeyXAROIZXLFOMYPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent iridoids and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • Substituents
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 11-noriridane monoterpenoid
  • organooxygen compound