Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:24 UTC
Update Date2025-03-25 01:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248021
Frequency0.5
Structure
Chemical FormulaC33H56O4
Molecular Mass516.4179
SMILESCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCCC
InChI KeyGYIBNOGWTCJSAD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzoyl derivatives
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • Substituents
  • benzoyl
  • benzoate ester
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound