Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:14 UTC
Update Date2025-03-21 18:38:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122916
Frequency21.0
Structure
Chemical FormulaC9H8O5
Molecular Mass196.0372
SMILESO=C(O)c1ccc(CO)c(C(=O)O)c1
InChI KeyZAUMIFVUAXFXTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent m-phthalic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • aromatic alcohols
  • benzoic acids
  • benzoyl derivatives
  • benzyl alcohols
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aromatic alcohol
  • alcohol
  • carboxylic acid
  • benzoyl
  • benzyl alcohol
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • meta_phthalic_acid
  • hydrocarbon derivative
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organooxygen compound