Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:16 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204144
Frequency0.5
Structure
Chemical FormulaC13H10O5
Molecular Mass246.0528
SMILESOc1ccc2c(c1)Oc1cc(O)cc(O)c1CO2
InChI KeyGKIZZXNIEHCUNW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxepines
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • diaryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • dioxepine
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • 1,4-dioxepine