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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:53 UTC
Update Date2025-03-25 00:46:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157756
Frequency0.5
Structure
Chemical FormulaC14H18O4
Molecular Mass250.1205
SMILESO=C(O)CCCCC1(O)CCc2cc(O)ccc21
InChI KeyZYGICOXLAOIDRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • carbocyclic fatty acid
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • fatty acid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • indane
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound