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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:45 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248830
Frequency0.5
Structure
Chemical FormulaC12H14O10S
Molecular Mass350.0308
SMILESCOc1ccc(C2OC(=O)C(O)C(O)C2OS(=O)(=O)O)cc1O
InChI KeyBRCSAOWVODDQMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent gluconolactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl sulfates
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • delta valerolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • gluconolactone
  • alkyl sulfate
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester