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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:36 UTC
Update Date2025-03-21 18:34:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102006
Frequency26.7
Structure
Chemical FormulaC11H12O3
Molecular Mass192.0786
SMILESCOc1cc2c(cc1O)CCCC2=O
InChI KeyHCURFVXLTVKURV-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