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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:41:44 UTC
Update Date2025-03-24 21:44:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01876337
Frequency0.6
Structure
Chemical FormulaC6H6O4
Molecular Mass142.0266
SMILESCC(=O)C1OC(=O)C=C1O
InChI KeyBNDNFOUAWBUNET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • butenolides
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • ketones
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • enoate ester
  • alpha-acyloxy ketone
  • monosaccharide
  • carboxylic acid derivative
  • ketone
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • vinylogous acid
  • 2-furanone
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • dihydrofuran