Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:35 UTC
Update Date2025-03-21 18:38:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121380
Frequency21.4
Structure
Chemical FormulaC24H34O6
Molecular Mass418.2355
SMILESCCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3OC(=O)CC(=O)O3)C21
InChI KeyWYUTUKUTNDTABX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • fatty acyl
  • carbonyl group
  • tricarboxylic acid or derivatives
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • hydrocarbon derivative
  • meta-dioxane
  • organoheterocyclic compound
  • organooxygen compound