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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:24 UTC
Update Date2025-03-25 00:47:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163360
Frequency0.5
Structure
Chemical FormulaC14H16O9
Molecular Mass328.0794
SMILESO=C(O)C(Cc1ccc(O)c(O)c1)OC1C(=O)OCC(O)C1O
InChI KeyLDEAOSGVYMQPRU-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
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • delta valerolactones
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • delta valerolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • lactone
  • saccharide
  • organic oxide
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound