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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:34 UTC
Update Date2025-03-21 18:40:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130798
Frequency19.4
Structure
Chemical FormulaC10H10O8S
Molecular Mass290.0096
SMILESCOc1cc(C(=O)CC(=O)OS(=O)(=O)O)ccc1O
InChI KeyWWPUZBQKQHTWBS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • beta-keto acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • beta-keto acid
  • organic oxide
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • anisole
  • keto acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • alkyl-phenylketone