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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:30:02 UTC
Update Date2025-03-24 20:21:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01419312
Frequency0.9
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESC=C1C(=O)OCC(O)C1O
InChI KeyNVQJWJWXPQJYDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • enoate esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • delta valerolactone
  • carboxylic acid derivative
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • delta_valerolactone
  • organooxygen compound
  • 1,2-diol