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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:17 UTC
Update Date2025-03-25 00:59:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236246
Frequency0.5
Structure
Chemical FormulaC14H20O3
Molecular Mass236.1412
SMILESCOc1c(O)cc2c(c1OC)CCC(C)C2C
InChI KeyRLZXZSBNCUJGED-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
  • hydrocarbon derivatives
    • Substituents
  • tetralin
  • phenol ether
  • ether
  • organic oxygen compound
  • anisole
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • alkyl aryl ether
  • organooxygen compound