Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:55 UTC
Update Date2025-03-21 18:33:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00095416
Frequency29.1
Structure
Chemical FormulaC25H36O4
Molecular Mass400.2614
SMILESCCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3C=CCC(=O)O3)C21
InChI KeyIRRITNIYWGHZAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent dihydropyranones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • fatty acyl
  • carbonyl group
  • dihydropyranone
  • carboxylic acid derivative
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound