Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:27:43 UTC
Update Date2025-03-24 20:45:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01557011
Frequency0.8
Structure
Chemical FormulaC6H4O3
Molecular Mass124.016
SMILESOc1cc(O)c2c(c1)O2
InChI KeyBPNLDZKAWQXEFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • diaryl ether
  • oxacycle
  • aromatic heteropolycyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • hydrocarbon derivative
  • benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organoheterocyclic compound