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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:04 UTC
Update Date2025-03-25 00:53:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199116
Frequency0.5
Structure
Chemical FormulaC19H18O2
Molecular Mass278.1307
SMILESOc1ccc2c(c1)OCCC2=C1CCCc2ccccc21
InChI KeyXXYOJSUCEGXPDR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • tetralin
  • ether
  • benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • chromane
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound