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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:36 UTC
Update Date2025-03-25 00:50:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179880
Frequency0.5
Structure
Chemical FormulaC18H18O7
Molecular Mass346.1053
SMILESCOc1cc(CC(COC(=O)c2ccc(O)cc2)C(=O)O)ccc1O
InChI KeyHVRLVOATAXWHNZ-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
  • alkyl aryl ethers
  • anisoles
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • p-hydroxybenzoic acid ester
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • benzoate ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • benzoic acid or derivatives
  • methoxybenzene
  • p-hydroxybenzoic acid alkyl ester
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound