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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:25 UTC
Update Date2025-03-25 00:49:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174829
Frequency0.5
Structure
Chemical FormulaC11H16O4
Molecular Mass212.1049
SMILESCCCC=CC=CC1OC(=O)C(O)C1O
InChI KeyJVQKLPCHGGQDQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • monosaccharide
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol