Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:04 UTC
Update Date2025-03-21 17:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00008631
Frequency566.7
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESCc1ccc(OCC(=O)O)cc1
InChI KeySFTDDFBJWUWKMN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenoxyacetic acid derivatives
Direct Parent phenoxyacetic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • toluenes
  • Substituents
  • phenol ether
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • phenoxy compound
  • toluene
  • organooxygen compound