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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:07 UTC
Update Date2025-03-21 18:04:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048418
Frequency68.5
Structure
Chemical FormulaC11H16O5S
Molecular Mass260.0718
SMILESCc1ccc(C(C)C)c(OCOS(=O)(=O)O)c1
InChI KeyPZRLZIGUGBXAQH-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
  • alkyl sulfates
  • cumenes
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organooxygen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylpropanes
  • sulfuric acid monoesters
  • toluenes
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • monocyclic monoterpenoid
  • organic sulfuric acid or derivatives
  • p-cymene
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • toluene
  • organooxygen compound
  • aromatic monoterpenoid