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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:59 UTC
Update Date2025-03-25 00:51:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189890
Frequency0.5
Structure
Chemical FormulaC22H28O4
Molecular Mass356.1988
SMILESC=Cc1c(C)c(C)c(CC2OC(=O)C(C)=C2CC)c(C)c1CCC(=O)O
InChI KeyPOWPLWKZXBZRDB-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
  • benzene and substituted derivatives
  • butenolides
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • enoate ester
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound
  • dihydrofuran