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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:24 UTC
Update Date2025-03-25 00:50:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181722
Frequency0.5
Structure
Chemical FormulaC12H14O4
Molecular Mass222.0892
SMILESO=C(O)C1(Cc2ccc(O)cc2)CCCO1
InChI KeySSQQLCUNRLWCHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound