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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:52 UTC
Update Date2025-03-21 18:34:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102666
Frequency26.5
Structure
Chemical FormulaC7H8O7
Molecular Mass204.027
SMILESO=C1OC(C(O)CO)C(=O)C(O)=C1O
InChI KeyPPXXOBCJFFXYGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent dihydropyranones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha-acyloxy ketones
  • cyclic ketones
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • carbonyl group
  • alpha-acyloxy ketone
  • dihydropyranone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • 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