Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:56 UTC
Update Date2025-03-25 00:59:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235462
Frequency0.5
Structure
Chemical FormulaC9H13NO5
Molecular Mass215.0794
SMILESOCc1c[nH]c2c1OC(CO)C(O)C2O
InChI KeyOGPPIEHUUSKCHO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • pyrroles
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • alkyl aryl ether
  • oxacycle
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organoheterocyclic compound