Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:04 UTC
Update Date2025-03-25 00:48:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169448
Frequency0.5
Structure
Chemical FormulaC17H26O5
Molecular Mass310.178
SMILESCCCCCCOC(=O)CCC(O)Cc1ccc(O)cc1O
InChI KeyUVRXENJKAKOCDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • resorcinol
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound