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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:21 UTC
Update Date2025-03-25 01:02:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254692
Frequency0.5
Structure
Chemical FormulaC16H18O4
Molecular Mass274.1205
SMILESCC1=C(C)C(Cc2ccc(C(C)C(=O)O)cc2)OC1=O
InChI KeyKLMHMEGDXPGSKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass terpene lactones
Direct Parent terpene lactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic monoterpenoids
  • benzene and substituted derivatives
  • butenolides
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocyclic monoterpenoids
  • organic oxides
  • oxacyclic compounds
  • phenylpropanoic acids
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • p-cymene
  • carboxylic acid derivative
  • lactone
  • terpene lactone
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • 2-phenylpropanoic-acid
  • organoheterocyclic compound
  • dihydrofuran
  • enoate ester
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid