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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:15 UTC
Update Date2025-03-25 00:53:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201819
Frequency0.5
Structure
Chemical FormulaC16H22O2
Molecular Mass246.162
SMILESCc1cc2c(c(C)c1C(=O)O)C(C)(C)CC2(C)C
InChI KeyWYSNFFCWGCVPNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
    • Substituents
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • organic oxygen compound
  • indane
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • 1-carboxy-2-haloaromatic compound
  • carboxylic acid derivative
  • organooxygen compound