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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:48 UTC
Update Date2025-03-25 00:50:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182631
Frequency0.5
Structure
Chemical FormulaC17H10O7S
Molecular Mass358.0147
SMILESO=c1oc2cc(OS(=O)(=O)O)ccc2c2cc(O)c3ccccc3c12
InChI KeyNLQAMUUSMMXCMV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthopyrans
Subclass naphthopyrans
Direct Parent naphthopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzopyrans
  • arylsulfates
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • naphthols and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • arylsulfate
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • isocoumarin
  • coumarin
  • oxacycle
  • naphthopyran
  • naphthalene
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • sulfate-ester
  • hydrocarbon derivative
  • 1-naphthol
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound