Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:50 UTC
Update Date2025-03-25 00:45:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150753
Frequency0.5
Structure
Chemical FormulaC13H8O4
Molecular Mass228.0423
SMILESO=c1cc(-c2ccc(O)cc2)c2occc2o1
InChI KeyWCRGHWZCMZNFNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent pyranones and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • furan
  • monocyclic benzene moiety
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyranone
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound