Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:26 UTC
Update Date2025-03-25 00:48:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170293
Frequency0.5
Structure
Chemical FormulaC21H36O3
Molecular Mass336.2664
SMILESCCCCCCCCCCCCCCCCOC(=O)c1ccoc1
InChI KeyCTWGNGGCYGOFLT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furoic acid and derivatives
Direct Parent furoic acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acid esters
  • furan-3-carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • furan-3-carboxylic acid ester
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • furan-3-carboxylic acid or derivatives
  • organooxygen compound
  • furoic acid ester