Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:05 UTC
Update Date2025-03-21 18:36:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112952
Frequency23.5
Structure
Chemical FormulaC11H14O8S
Molecular Mass306.0409
SMILESCOc1cc(CC(O)CC(=O)O)ccc1OS(=O)(=O)O
InChI KeySVMJIQYZLUHHQH-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
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • secondary alcohols
  • sulfuric acid monoesters
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • phenylsulfate
  • beta-hydroxy acid
  • organic oxide
  • alcohol
  • hydroxy acid
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound