Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:10 UTC
Update Date2025-03-25 00:50:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178897
Frequency0.5
Structure
Chemical FormulaC14H12O4
Molecular Mass244.0736
SMILESOc1ccc(C2OCc3ccccc3O2)cc1O
InChI KeyJPNITXHBHMHSSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzodioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • benzo-1,3-dioxanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • phenylbenzodioxane
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • benzo-1,3-dioxane
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound