Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:57 UTC
Update Date2025-03-25 00:59:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235518
Frequency0.5
Structure
Chemical FormulaC9H8O4
Molecular Mass180.0423
SMILESOCc1coc2c(O)c(O)ccc12
InChI KeyPCMAQWGEXQFYIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofurans
Direct Parent benzofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • benzenoids
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • furan
  • benzofuran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound