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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:37 UTC
Update Date2025-03-25 00:57:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227946
Frequency0.5
Structure
Chemical FormulaC9H10O6
Molecular Mass214.0477
SMILESC=CC(=O)C1=C(O)C(C(O)CO)OC1=O
InChI KeyUUGVCUGWCDGKCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha,beta-unsaturated ketones
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • ketones
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • carbonyl group
  • monosaccharide
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • ketone
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • primary alcohol
  • 1,2-diol
  • enoate ester
  • alcohol
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound