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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:19 UTC
Update Date2025-03-21 18:35:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103754
Frequency26.2
Structure
Chemical FormulaC21H18O5
Molecular Mass350.1154
SMILESOCC1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C1O
InChI KeyUDMQODRMYBDHFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classpyrenes
Subclass pyrenes
Direct Parent pyrenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • hydrocarbon derivatives
  • monosaccharides
  • naphthalenes
  • oxacyclic compounds
  • phenanthrenes and derivatives
  • phenol ethers
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • phenol ether
  • phenanthrene
  • tetrahydrofuran
  • monosaccharide
  • oxacycle
  • pyrene
  • saccharide
  • naphthalene
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound