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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:02 UTC
Update Date2025-03-25 00:59:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240187
Frequency0.5
Structure
Chemical FormulaC18H18O8
Molecular Mass362.1002
SMILESO=C1c2cccc3cccc(c23)OC1OC1OC(CO)C(O)C(O)C1O
InChI KeyNDBSJNMSSSTESF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 2-benzopyrans
  • acetals
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • benzopyran
  • aryl alkyl ketone
  • 1-benzopyran
  • monosaccharide
  • ketone
  • oxacycle
  • saccharide
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound
  • aryl ketone