Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:28 UTC
Update Date2025-03-21 18:39:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125786
Frequency20.4
Structure
Chemical FormulaC7H12O5
Molecular Mass176.0685
SMILESCC1OC(C(O)CO)C(O)=C1O
InChI KeyXJASFVVWWFLZQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • dialkyl ethers
  • dihydrofurans
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound
  • 1,2-diol
  • dihydrofuran