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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:15 UTC
Update Date2025-03-21 18:06:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065106
Frequency47.1
Structure
Chemical FormulaC11H12O5
Molecular Mass224.0685
SMILESCOc1cc(CC(C=O)C(=O)O)ccc1O
InChI KeyPQKTWLDSVHJPEK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • aldehydes
  • alkyl aryl ethers
  • anisoles
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • aldehyde
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 1,3-dicarbonyl compound
  • phenoxy compound
  • organooxygen compound