Hmdb loader

Showing information for DMID00095296

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:53 UTC
Update Date2025-03-21 18:33:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00095296
Frequency29.1
Structure
Chemical FormulaC12H12O5
Molecular Mass236.0685
SMILESO=C(O)CCCC(=O)c1ccccc1C(=O)O
InChI KeyDQCVPEQJPDHXQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • aryl alkyl ketones
  • benzoic acids
  • benzoyl derivatives
  • butyrophenones
  • carbocyclic fatty acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • organic oxides
    • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • fatty acid
  • carboxylic acid derivative
  • organic oxide
  • medium-chain fatty acid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • benzoic acid or derivatives
  • butyrophenone
  • aromatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone