Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:15 UTC
Update Date2025-03-25 00:51:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185886
Frequency0.5
Structure
Chemical FormulaC12H12O5
Molecular Mass236.0685
SMILESOCC(O)c1cc(O)cc2cc(O)cc(O)c12
InChI KeyHFAUAMZHCUYWIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • hydrocarbon derivatives
  • primary alcohols
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 1-naphthol
  • primary alcohol
  • 2-naphthol
  • organooxygen compound
  • 1,2-diol