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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:55 UTC
Update Date2025-03-25 00:53:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201121
Frequency0.5
Structure
Chemical FormulaC12H14O7
Molecular Mass270.074
SMILESCOc1cc(C(CC(=O)O)C(=O)O)cc(O)c1OC
InChI KeyKTCHJUPGTQKOTG-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-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • dimethoxybenzene
  • organic oxide
  • o-dimethoxybenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound