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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:09 UTC
Update Date2025-03-25 00:59:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02238154
Frequency0.5
Structure
Chemical FormulaC12H16O6
Molecular Mass256.0947
SMILESO=C(O)CCc1cc(O)ccc1OCC(O)CO
InChI KeyIOODDUQHJGOKEI-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
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • 4-alkoxyphenol
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound
  • 1,2-diol