Hmdb loader

Showing information for DMID02149045

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:07 UTC
Update Date2025-03-25 00:45:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149045
Frequency0.5
Structure
Chemical FormulaC13H18O3S
Molecular Mass254.0977
SMILESC=CCS(=O)(=O)Oc1cc(C)ccc1C(C)C
InChI KeyPZARGNUHOSJJSZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • cumenes
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organooxygen compounds
  • organosulfonic acid esters
  • phenoxy compounds
  • phenylpropanes
  • sulfonic acid esters
  • sulfonyls
  • toluenes
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • allyl sulfur compound
  • p-cymene
  • organosulfur compound
  • organosulfonic acid ester
  • phenylpropane
  • aromatic homomonocyclic compound
  • sulfonic acid ester
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • toluene
  • organooxygen compound
  • aromatic monoterpenoid