Hmdb loader

Showing information for DMID02232573

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:41 UTC
Update Date2025-03-25 00:58:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232573
Frequency0.5
Structure
Chemical FormulaC15H20O3
Molecular Mass248.1412
SMILESCCC1C(=O)OC(Cc2ccc(O)c(C)c2)C1C
InChI KeyQZKOVJCETAMPAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent ortho cresols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • o-cresol
  • hydrocarbon derivative
  • toluene
  • organoheterocyclic compound
  • organooxygen compound