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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:26 UTC
Update Date2025-03-25 00:54:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209135
Frequency0.5
Structure
Chemical FormulaC13H14O7S
Molecular Mass314.046
SMILESCC1(CCC(=O)O)C=Cc2cc(OS(=O)(=O)O)ccc2O1
InChI KeyLDVOJDSHHSTGCZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • arylsulfates
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • 1-benzopyran
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound