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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:31 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154744
Frequency0.5
Structure
Chemical FormulaC13H16O3
Molecular Mass220.1099
SMILESCOc1cc2c(cc1O)C(=O)CCC2(C)C
InChI KeyHZCJBHMBCCNWKD-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
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • tetralin
  • phenol ether
  • ether
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • ketone
  • organic oxide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone