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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:39 UTC
Update Date2025-03-25 00:48:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166269
Frequency0.5
Structure
Chemical FormulaC25H38O5
Molecular Mass418.2719
SMILESCC1CC2C(CCC3C2CC(O)C2(C)C(=O)CCC32)C1CCC1CC(O)CC(=O)O1
InChI KeyPANISVBUCCNQJQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass terpene lactones
Direct Parent terpene lactones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • delta valerolactones
  • hydrocarbon derivatives
  • iridoids and derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • monoterpenoid
  • carbonyl group
  • delta valerolactone
  • cyclic alcohol
  • carboxylic acid derivative
  • ketone
  • lactone
  • aliphatic heteropolycyclic compound
  • terpene lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • 11-noriridane monoterpenoid
  • delta_valerolactone
  • organoheterocyclic compound
  • organooxygen compound