Hmdb loader
Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:50:44 UTC
Update Date2025-03-21 18:02:47 UTC
HMDB IDHMDB0135676
Metabolite Identification
DeepMet IDDMID00040276
Name[2-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid
Frequency85.9
Structure
Chemical FormulaC11H14O6S
Molecular Mass274.0511
SMILESCOc1cc(CCC(C)=O)ccc1OS(=O)(=O)O
InChI KeyRVQGXLBWVGRCSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • ketones
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • phenylsulfate
  • organic oxide
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound