Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:45 UTC
Update Date2025-03-25 00:51:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187071
Frequency0.5
Structure
Chemical FormulaC19H22O5
Molecular Mass330.1467
SMILESCC(C(=O)CC(O)CCc1ccc(O)c(O)c1)c1ccc(O)cc1
InChI KeyVEQFXTBZCKDFDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound