Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:22 UTC
Update Date2025-03-21 17:59:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00018357
Frequency225.7
Structure
Chemical FormulaC9H10O4
Molecular Mass182.0579
SMILESOc1cc(O)c2c(c1)OCC(O)C2
InChI KeyGUBPZPIZJGZPPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound