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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:19:40 UTC
Update Date2025-03-24 20:16:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01394228
Frequency0.9
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESC=CC(O)C=C(C)C(=O)O
InChI KeyTUYIVWCQZDNWCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • unsaturated fatty acids
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • fatty acid
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • unsaturated fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound