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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:25 UTC
Update Date2025-03-21 18:37:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116185
Frequency22.6
Structure
Chemical FormulaC19H28O7
Molecular Mass368.1835
SMILESCOc1cc(CCC(=O)O)ccc1OC1OC(C(O)O)C(C)C(C)C1C
InChI KeyHBRYAVDWGQBKJN-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
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound