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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:09 UTC
Update Date2025-03-21 18:33:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098437
Frequency28.0
Structure
Chemical FormulaC25H38O6
Molecular Mass434.2668
SMILESCCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)C(O)C(=O)O3)C21
InChI KeyAZZIHGLZDFJJLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • carbonyl group
  • delta valerolactone
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • oxacycle
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • oxane
  • delta_valerolactone
  • organooxygen compound
  • 1,2-diol