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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:58 UTC
Update Date2025-03-21 17:58:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00015335
Frequency283.7
Structure
Chemical FormulaC17H22O10
Molecular Mass386.1213
SMILESCOc1cc(CCC(=O)O)ccc1OC1C(O)C(O)C(O)C(O)C1C(=O)O
InChI KeyGLVMIEJVVSMUAV-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
  • alkyl aryl ethers
  • anisoles
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • alcohol
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound