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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:43 UTC
Update Date2025-03-25 00:56:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221538
Frequency0.5
Structure
Chemical FormulaC16H20O6
Molecular Mass308.126
SMILESO=C(O)CCCC1(CC(=O)O)CCCc2cc(O)c(O)cc21
InChI KeyIINNDNDKBCEIDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • organic oxides
    • Substituents
  • fatty acyl
  • tetralin
  • carbocyclic fatty acid
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • fatty acid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound