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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:59 UTC
Update Date2025-03-25 00:57:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222134
Frequency0.5
Structure
Chemical FormulaC12H12O6
Molecular Mass252.0634
SMILESOc1ccc2c3c1OC1OC3C(O)C(O)C(O)C21
InChI KeyOMVCGSLPTAZSPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxepanes
  • secondary alcohols
    • Substituents
  • alcohol
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxepane
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound