Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:04 UTC
Update Date2025-03-21 18:35:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105609
Frequency25.6
Structure
Chemical FormulaC23H22O7
Molecular Mass410.1366
SMILESOCC(O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C(O)C1O
InChI KeyDJPIYYAWLLSGSH-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
  • oxanes
  • phenanthrenes and derivatives
  • phenol ethers
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • phenanthrene
  • monosaccharide
  • oxacycle
  • pyrene
  • saccharide
  • naphthalene
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound