Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:01 UTC
Update Date2025-03-21 18:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105473
Frequency25.6
Structure
Chemical FormulaC10H12O5
Molecular Mass212.0685
SMILESO=C(O)CCc1ccc(CCC(=O)O)o1
InChI KeyYCWANOXKZPXNHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent furanoid fatty acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyls
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • furan
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • furanoid fatty acid