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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:16 UTC
Update Date2025-03-21 18:06:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065175
Frequency47.0
Structure
Chemical FormulaC18H24O6
Molecular Mass336.1573
SMILESCC1C(Oc2cccc(CCC(=O)O)c2)OC(C(=O)O)C(C)C1C
InChI KeyFILHWXWBOPTPEN-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
  • acetals
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • pyran carboxylic acid
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • pyran
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound