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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:04 UTC
Update Date2025-03-25 01:01:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249529
Frequency0.5
Structure
Chemical FormulaC22H34O3
Molecular Mass346.2508
SMILESCc1c(O)c(CCC(=O)O)c(C)c2c1CCC(C)(CCCC(C)C)C2
InChI KeyWAPAUTYTJBMEGG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • tetralin
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • organic oxygen compound
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound