Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:46 UTC
Update Date2025-03-25 00:55:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209978
Frequency0.5
Structure
Chemical FormulaC12H15FO2
Molecular Mass210.1056
SMILESCC1(C(O)c2ccc(F)cc2)CCCO1
InChI KeyOJBKGJWUIYQYGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent fluorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • aryl fluorides
  • dialkyl ethers
  • hydrocarbon derivatives
  • organofluorides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • aryl fluoride
  • aromatic alcohol
  • alcohol
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • organofluoride
  • organohalogen compound
  • dialkyl ether
  • aryl halide
  • oxacycle
  • fluorobenzene
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound