Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:49 UTC
Update Date2025-03-21 18:31:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00087985
Frequency32.3
Structure
Chemical FormulaC20H30O3
Molecular Mass318.2195
SMILESCC1C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C2(C)CC1
InChI KeyPKLYPLHTFPNOBO-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
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sesquiterpenoids
  • Substituents
  • alcohol
  • carbonyl group
  • megastigmane sesquiterpenoid
  • delta valerolactone
  • carboxylic acid derivative
  • lactone
  • aliphatic heteropolycyclic compound
  • terpene lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • sesquiterpenoid
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • organooxygen compound