Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:32 UTC
Update Date2025-03-25 00:55:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214157
Frequency0.5
Structure
Chemical FormulaC11H16O5
Molecular Mass228.0998
SMILESCCc1ccc(C2OC(CO)C(O)C2O)o1
InChI KeyBCSAQWJUDXYYNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • furan
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • heteroaromatic compound
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound