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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:31 UTC
Update Date2025-03-21 18:00:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00027863
Frequency135.7
Structure
Chemical FormulaC9H10O5
Molecular Mass198.0528
SMILESCOc1cc(CC(=O)O)c(O)cc1O
InChI KeyKYRWQMLFBXAXLI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetic acids
Direct Parent 2(hydroxyphenyl)acetic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • resorcinols
    • Substituents
  • phenol ether
  • 4-alkoxyphenol
  • carbonyl group
  • ether
  • carboxylic acid
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound
  • 2(hydroxyphenyl)acetic acid