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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:35 UTC
Update Date2025-03-25 00:52:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195689
Frequency0.5
Structure
Chemical FormulaC16H22O8
Molecular Mass342.1315
SMILESCC1OC(C2Oc3cc(O)cc(O)c3C(C)C2O)C(O)C(O)C1O
InChI KeyIPHSQLSJIOEXIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • dialkyl ether
  • oxacycle
  • saccharide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • organooxygen compound