Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:04 UTC
Update Date2025-03-21 18:03:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043510
Frequency78.1
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESCOCc1ccccc1C(=O)O
InChI KeySZBJAHPVWKIPIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzylethers
Direct Parent benzylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzoic acids
  • benzoyl derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • ether
  • carboxylic acid
  • benzylether
  • benzoyl
  • benzoic acid or derivatives
  • carboxylic acid derivative
  • dialkyl ether
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organooxygen compound