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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:54 UTC
Update Date2025-03-25 00:53:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203274
Frequency0.5
Structure
Chemical FormulaC11H11ClO3
Molecular Mass226.0397
SMILESO=C(O)CC1CCc2cc(O)c(Cl)cc21
InChI KeyOGBRHRQBMPEGDR-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
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
    • Substituents
  • aryl chloride
  • carbonyl group
  • carboxylic acid
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • organohalogen compound
  • aryl halide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • indane
  • hydrocarbon derivative
  • organooxygen compound