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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:05 UTC
Update Date2025-03-21 18:39:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124843
Frequency20.6
Structure
Chemical FormulaC23H34O4
Molecular Mass374.2457
SMILESCC1C=C2C=CC(C)C(CCC3CCC(=O)O3)C2C(OC(=O)C(C)(C)C)C1
InChI KeyLVXYAICTQDUZCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound