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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:18 UTC
Update Date2025-03-21 18:36:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111070
Frequency24.0
Structure
Chemical FormulaC19H28O4
Molecular Mass320.1988
SMILESCc1c(C)c2c(c(C)c1O)CCC(O)(CCCC(C)C(=O)O)C2
InChI KeyOCFZGVBPWBBAPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • tertiary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • tetralin
  • carbocyclic fatty acid
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • fatty acid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound